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easyconfigs-it4i/m/MRCC/mrcc_files/2/BASIS/Se
Lukas Krupcik eb1ea94130 merge master
2024-07-25 10:27:17 +02:00

5931 lines
907 KiB
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Se:cc-pVDZ
Dunning's correlation consistent basis set
3
0 1 2
5 4 2
14 11 6
598990.000000000000 89783.000000000000 20435.000000000000 5786.900000000000 1887.300000000000 680.970000000000 265.390000000000 108.630000000000 33.760000000000 14.465000000000 4.389000000000 1.878300000000 0.358590000000 0.136490000000
0.000200400000 -0.000062900000 0.000024700000 -0.000007200000 0.000000000000
0.001555400000 -0.000485000000 0.000191300000 -0.000055900000 0.000000000000
0.008087200000 -0.002564400000 0.001006800000 -0.000293800000 0.000000000000
0.033034400000 -0.010476100000 0.004151400000 -0.001213600000 0.000000000000
0.108292400000 -0.036722300000 0.014499100000 -0.004234000000 0.000000000000
0.270336100000 -0.099922500000 0.040565800000 -0.011903500000 0.000000000000
0.420623600000 -0.214197300000 0.088536400000 -0.026020600000 0.000000000000
0.281592200000 -0.183659300000 0.085421200000 -0.025614800000 0.000000000000
0.030811000000 0.467545400000 -0.293258100000 0.091942700000 0.000000000000
-0.007161700000 0.641474000000 -0.557072700000 0.183870000000 0.000000000000
0.002602200000 0.079256900000 0.526143600000 -0.218846100000 0.000000000000
-0.001258300000 -0.014269700000 0.732037100000 -0.489652400000 0.000000000000
0.000346500000 0.003379200000 0.038824600000 0.677581800000 0.000000000000
-0.000150300000 -0.001453700000 -0.010503600000 0.529672100000 1.000000000000
4135.600000000000 980.340000000000 316.350000000000 119.250000000000 49.068000000000 21.212000000000 8.946200000000 3.823600000000 1.588300000000 0.409690000000 0.124590000000
0.001412700000 -0.000561000000 0.000136600000 0.000000000000
0.011858800000 -0.004734000000 0.001130800000 0.000000000000
0.059515300000 -0.024350400000 0.005958100000 0.000000000000
0.197220100000 -0.084107100000 0.020186600000 0.000000000000
0.400743900000 -0.184138400000 0.046193900000 0.000000000000
0.399474000000 -0.173500400000 0.039405000000 0.000000000000
0.115336400000 0.216726300000 -0.059284600000 0.000000000000
0.000221900000 0.585009900000 -0.201466300000 0.000000000000
0.002283800000 0.341681600000 -0.068782100000 0.000000000000
-0.000475600000 0.019912500000 0.559594400000 0.000000000000
0.000151600000 -0.002613100000 0.570978400000 1.000000000000
94.472000000000 27.180000000000 9.506800000000 3.416800000000 1.147900000000 0.368200000000
0.023498200000 0.000000000000
0.137518300000 0.000000000000
0.366482400000 0.000000000000
0.487471700000 0.000000000000
0.276576900000 0.000000000000
0.000000000000 1.000000000000
Se:cc-pVTZ
Dunning's correlation consistent basis set
4
0 1 2 3
6 5 3 1
20 13 9 1
9563600.000000000000 1432100.000000000000 325910.000000000000 92312.000000000000 30116.000000000000 10872.000000000000 4240.100000000000 1758.400000000000 766.590000000000 348.430000000000 164.030000000000 79.142000000000 35.524000000000 17.305000000000 8.378400000000 3.740500000000 1.689000000000 0.509270000000 0.255200000000 0.106510000000
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0.000048900000 -0.000015300000 0.000006000000 -0.000001800000 0.000000000000 0.000000000000
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0.001086100000 -0.000340000000 0.000133700000 -0.000039100000 0.000000000000 0.000000000000
0.003939900000 -0.001239700000 0.000488300000 -0.000142800000 0.000000000000 0.000000000000
0.012704100000 -0.004017700000 0.001582100000 -0.000462700000 0.000000000000 0.000000000000
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0.323833400000 -0.203844100000 0.088469600000 -0.026207400000 0.000000000000 0.000000000000
0.135233700000 -0.078871100000 0.036392000000 -0.010996400000 0.000000000000 0.000000000000
0.011707500000 0.384582500000 -0.223532900000 0.069569700000 0.000000000000 0.000000000000
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0.000166500000 0.197359100000 -0.108422400000 0.034616000000 0.000000000000 0.000000000000
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0.000020400000 0.001316000000 0.555871100000 -0.432256900000 0.000000000000 0.000000000000
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8004.300000000000 1896.900000000000 614.710000000000 233.500000000000 97.856000000000 43.514000000000 20.063000000000 9.112700000000 4.106300000000 1.794900000000 0.624320000000 0.246150000000 0.088917000000
0.000450500000 -0.000178300000 0.000043000000 0.000000000000 0.000000000000
0.003904900000 -0.001555400000 0.000377000000 0.000000000000 0.000000000000
0.021090100000 -0.008472700000 0.002046500000 0.000000000000 0.000000000000
0.081292000000 -0.033624500000 0.008189900000 0.000000000000 0.000000000000
0.221784100000 -0.095826700000 0.023335600000 0.000000000000 0.000000000000
0.390727000000 -0.181390700000 0.044981300000 0.000000000000 0.000000000000
0.355971400000 -0.150315200000 0.035747500000 0.000000000000 0.000000000000
0.107327200000 0.194826300000 -0.058686600000 0.000000000000 0.000000000000
0.003698500000 0.541555400000 -0.170957300000 0.000000000000 0.000000000000
0.001803200000 0.383729900000 -0.129358300000 0.000000000000 0.000000000000
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361.850000000000 108.550000000000 41.433000000000 17.579000000000 7.862700000000 3.518000000000 1.534800000000 0.608130000000 0.222000000000
0.001565500000 0.000000000000 0.000000000000
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0.060152700000 0.000000000000 0.000000000000
0.174029300000 0.000000000000 0.000000000000
0.319569000000 0.000000000000 0.000000000000
0.381202900000 0.000000000000 0.000000000000
0.274608600000 0.000000000000 0.000000000000
0.078255100000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.462000000000
1.000000000000
Se:cc-pVQZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
7 6 4 2 1
21 16 12 2 1
15011000.000000000000 2247500.000000000000 511450.000000000000 144870.000000000000 47261.000000000000 17062.000000000000 6654.500000000000 2759.800000000000 1203.200000000000 546.530000000000 256.630000000000 123.140000000000 58.263000000000 29.023000000000 14.465000000000 6.934800000000 3.329900000000 1.560000000000 0.492910000000 0.235250000000 0.100370000000
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0.000027900000 -0.000008700000 0.000003400000 -0.000001000000 0.000000000000 0.000000000000 0.000000000000
0.000146600000 -0.000045900000 0.000018100000 -0.000005300000 0.000000000000 0.000000000000 0.000000000000
0.000619000000 -0.000193900000 0.000076300000 -0.000022300000 0.000000000000 0.000000000000 0.000000000000
0.002251400000 -0.000706400000 0.000278100000 -0.000081400000 0.000000000000 0.000000000000 0.000000000000
0.007303000000 -0.002303000000 0.000906800000 -0.000264900000 0.000000000000 0.000000000000 0.000000000000
0.021444200000 -0.006842500000 0.002699900000 -0.000790600000 0.000000000000 0.000000000000 0.000000000000
0.056812200000 -0.018633500000 0.007372600000 -0.002153900000 0.000000000000 0.000000000000 0.000000000000
0.132080700000 -0.045951200000 0.018336000000 -0.005381200000 0.000000000000 0.000000000000 0.000000000000
0.252346900000 -0.099219300000 0.040181200000 -0.011769400000 0.000000000000 0.000000000000 0.000000000000
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25217.000000000000 5969.900000000000 1938.900000000000 741.660000000000 314.500000000000 143.310000000000 68.650000000000 33.995000000000 17.185000000000 8.574000000000 4.220600000000 2.052100000000 0.961560000000 0.421510000000 0.176260000000 0.070663000000
0.000061000000 -0.000024100000 0.000005800000 0.000000000000 0.000000000000 0.000000000000
0.000542400000 -0.000215200000 0.000052000000 0.000000000000 0.000000000000 0.000000000000
0.003117400000 -0.001238600000 0.000299800000 0.000000000000 0.000000000000 0.000000000000
0.013597700000 -0.005460700000 0.001320100000 0.000000000000 0.000000000000 0.000000000000
0.047278800000 -0.019293600000 0.004685700000 0.000000000000 0.000000000000 0.000000000000
0.129785600000 -0.054971500000 0.013373700000 0.000000000000 0.000000000000 0.000000000000
0.265738300000 -0.117795200000 0.028924500000 0.000000000000 0.000000000000 0.000000000000
0.367354400000 -0.174078200000 0.042945400000 0.000000000000 0.000000000000 0.000000000000
0.274780500000 -0.095579800000 0.022327200000 0.000000000000 0.000000000000 0.000000000000
0.079167900000 0.205971400000 -0.063603100000 0.000000000000 0.000000000000 0.000000000000
0.005134900000 0.473543100000 -0.143614700000 0.000000000000 0.000000000000 0.000000000000
0.001331900000 0.383192200000 -0.144729300000 0.000000000000 0.000000000000 0.000000000000
-0.000203300000 0.092087200000 0.063038000000 0.000000000000 0.000000000000 0.000000000000
0.000128100000 0.002433200000 0.411710900000 1.000000000000 0.000000000000 0.000000000000
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0.000014300000 -0.000088000000 0.194716800000 0.000000000000 0.000000000000 1.000000000000
1143.400000000000 345.330000000000 134.460000000000 59.567000000000 28.283000000000 14.061000000000 7.139000000000 3.614800000000 1.807200000000 0.869440000000 0.370360000000 0.153000000000
0.000130100000 0.000000000000 0.000000000000 0.000000000000
0.001257300000 0.000000000000 0.000000000000 0.000000000000
0.007288200000 0.000000000000 0.000000000000 0.000000000000
0.028864700000 0.000000000000 0.000000000000 0.000000000000
0.083898700000 0.000000000000 0.000000000000 0.000000000000
0.181977100000 0.000000000000 0.000000000000 0.000000000000
0.282605700000 0.000000000000 0.000000000000 0.000000000000
0.322045300000 0.000000000000 0.000000000000 0.000000000000
0.258163300000 0.000000000000 0.000000000000 0.000000000000
0.118085000000 1.000000000000 0.000000000000 0.000000000000
0.019531800000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.284000000000 0.709700000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.573000000000
1.000000000000
Se:cc-pV5Z
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
8 7 5 3 2 1
26 17 13 3 2 1
154432250.000000000000 23129212.000000000000 5261792.900000000373 1488816.699999999953 484656.559999999998 174270.630000000005 67529.089999999997 27750.837000000000 11964.216000000000 5370.714800000000 2497.319400000000 1198.767900000000 592.580260000000 300.977080000000 156.460240000000 82.476086000000 42.270887000000 22.630220000000 12.122374000000 6.249170000000 3.242678000000 1.666362000000 0.787264000000 0.402972000000 0.187096000000 0.084706000000
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0.000001500000 -0.000000500000 0.000000200000 -0.000000100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000008000000 -0.000002500000 0.000001000000 -0.000000300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000033800000 -0.000010600000 0.000004200000 -0.000001200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000123700000 -0.000038700000 0.000015200000 -0.000004500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000408400000 -0.000127900000 0.000050300000 -0.000014700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001243100000 -0.000389800000 0.000153500000 -0.000044900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003538900000 -0.001112300000 0.000437800000 -0.000128000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009482200000 -0.003000700000 0.001182700000 -0.000345700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.023890100000 -0.007656300000 0.003020800000 -0.000883400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.055875700000 -0.018422100000 0.007299200000 -0.002136300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.117910400000 -0.041018400000 0.016352800000 -0.004789200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.212796200000 -0.082302600000 0.033296200000 -0.009775800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.298930400000 -0.139884000000 0.058013900000 -0.017087700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.276565100000 -0.177033700000 0.077023300000 -0.022865600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.129294100000 -0.088776100000 0.041106500000 -0.012302800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.018587500000 0.225153700000 -0.122578200000 0.037525400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000077300000 0.520717100000 -0.385339700000 0.124434200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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36511.337000000000 8640.550999999999 2805.691100000000 1073.496100000000 455.774750000000 208.094320000000 100.231110000000 50.073522000000 25.700262000000 13.346792000000 6.787051000000 3.391654000000 1.670327000000 0.752599000000 0.346813000000 0.151855000000 0.063856000000
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0.313804100000 -0.143027400000 0.035132800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.344365000000 -0.162778700000 0.040402800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.037919300000 0.309182900000 -0.092099900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002178100000 0.477601300000 -0.153509000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000035700000 -0.000727800000 0.437381300000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
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0.000003700000 -0.000153200000 0.147581700000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1635.066300000000 494.672660000000 192.843880000000 85.782195000000 41.149966000000 20.678170000000 10.726386000000 5.612454000000 2.920376000000 1.498184000000 0.735999000000 0.316004000000 0.133100000000
0.000059100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000584000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003525600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.015112700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.047844600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.117434500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.215907400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.292921600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.300086400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.213671900000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.210000000000 0.421100000000 0.844200000000
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0.385000000000 0.865900000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.723500000000
1.000000000000
Se:cc-pCVDZ
Dunning's correlation consistent basis set
4
0 1 2 3
6 5 3 1
15 12 7 1
598990.000000000000 89783.000000000000 20435.000000000000 5786.900000000000 1887.300000000000 680.970000000000 265.390000000000 108.630000000000 33.760000000000 14.465000000000 4.389000000000 1.878300000000 0.358590000000 0.136490000000 1.805500000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
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0.366482400000 0.000000000000 0.000000000000
0.487471700000 0.000000000000 0.000000000000
0.276576900000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
6.358800000000
1.000000000000
Se:cc-pCVTZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
8 7 5 3 1
22 15 11 3 1
9563600.000000000000 1432100.000000000000 325910.000000000000 92312.000000000000 30116.000000000000 10872.000000000000 4240.100000000000 1758.400000000000 766.590000000000 348.430000000000 164.030000000000 79.142000000000 35.524000000000 17.305000000000 8.378400000000 3.740500000000 1.689000000000 0.509270000000 0.255200000000 0.106510000000 1.786700000000 8.778000000000
0.000006300000 -0.000002000000 0.000000800000 -0.000000200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000048900000 -0.000015300000 0.000006000000 -0.000001800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000257400000 -0.000080600000 0.000031700000 -0.000009300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001086100000 -0.000340000000 0.000133700000 -0.000039100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003939900000 -0.001239700000 0.000488300000 -0.000142800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.012704100000 -0.004017700000 0.001582100000 -0.000462700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036715600000 -0.011867200000 0.004691900000 -0.001372200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.093867200000 -0.031534000000 0.012509800000 -0.003662800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.201767700000 -0.074643900000 0.030038100000 -0.008806100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.328054000000 -0.145217900000 0.059727100000 -0.017586700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.323833400000 -0.203844100000 0.088469600000 -0.026207400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.135233700000 -0.078871100000 0.036392000000 -0.010996400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.011707500000 0.384582500000 -0.223532900000 0.069569700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000166500000 0.197359100000 -0.108422400000 0.034616000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000020400000 0.001316000000 0.555871100000 -0.432256900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000008300000 0.000110900000 -0.011383200000 0.675721700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8004.300000000000 1896.900000000000 614.710000000000 233.500000000000 97.856000000000 43.514000000000 20.063000000000 9.112700000000 4.106300000000 1.794900000000 0.624320000000 0.246150000000 0.088917000000 2.164700000000 11.583500000000
0.000450500000 -0.000178300000 0.000043000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003904900000 -0.001555400000 0.000377000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.021090100000 -0.008472700000 0.002046500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.081292000000 -0.033624500000 0.008189900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.221784100000 -0.095826700000 0.023335600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.390727000000 -0.181390700000 0.044981300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.355971400000 -0.150315200000 0.035747500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.107327200000 0.194826300000 -0.058686600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003698500000 0.541555400000 -0.170957300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001803200000 0.383729900000 -0.129358300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000220800000 -0.005013200000 0.577806900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
361.850000000000 108.550000000000 41.433000000000 17.579000000000 7.862700000000 3.518000000000 1.534800000000 0.608130000000 0.222000000000 2.169700000000 6.029100000000
0.001565500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.013326200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.060152700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.174029300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.319569000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.381202900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.274608600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.078255100000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.462000000000 3.132300000000 9.659700000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
7.406300000000
1.000000000000
Se:cc-pCVQZ
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
10 9 7 5 3 1
24 19 15 5 3 1
15011000.000000000000 2247500.000000000000 511450.000000000000 144870.000000000000 47261.000000000000 17062.000000000000 6654.500000000000 2759.800000000000 1203.200000000000 546.530000000000 256.630000000000 123.140000000000 58.263000000000 29.023000000000 14.465000000000 6.934800000000 3.329900000000 1.560000000000 0.492910000000 0.235250000000 0.100370000000 3.170800000000 9.268700000000 27.093700000000
0.000003600000 -0.000001100000 0.000000400000 -0.000000100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000027900000 -0.000008700000 0.000003400000 -0.000001000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000146600000 -0.000045900000 0.000018100000 -0.000005300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000619000000 -0.000193900000 0.000076300000 -0.000022300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002251400000 -0.000706400000 0.000278100000 -0.000081400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007303000000 -0.002303000000 0.000906800000 -0.000264900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.021444200000 -0.006842500000 0.002699900000 -0.000790600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.056812200000 -0.018633500000 0.007372600000 -0.002153900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.132080700000 -0.045951200000 0.018336000000 -0.005381200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.252346900000 -0.099219300000 0.040181200000 -0.011769400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.345929600000 -0.172881300000 0.072486400000 -0.021462900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.262389000000 -0.188497300000 0.083562600000 -0.024690400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.066793800000 0.042261000000 -0.020759200000 0.005777400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.001727500000 0.505281800000 -0.479833300000 0.157857000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000357800000 0.001956700000 0.717411600000 -0.329077600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000067700000 -0.000464400000 0.028997400000 0.340087700000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000011000000 -0.000073500000 0.001643800000 0.249216100000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
25217.000000000000 5969.900000000000 1938.900000000000 741.660000000000 314.500000000000 143.310000000000 68.650000000000 33.995000000000 17.185000000000 8.574000000000 4.220600000000 2.052100000000 0.961560000000 0.421510000000 0.176260000000 0.070663000000 1.000000000000 1.000000000000 2.570500000000
0.000061000000 -0.000024100000 0.000005800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000542400000 -0.000215200000 0.000052000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003117400000 -0.001238600000 0.000299800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.013597700000 -0.005460700000 0.001320100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.047278800000 -0.019293600000 0.004685700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.129785600000 -0.054971500000 0.013373700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.265738300000 -0.117795200000 0.028924500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.367354400000 -0.174078200000 0.042945400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.274780500000 -0.095579800000 0.022327200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.079167900000 0.205971400000 -0.063603100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005134900000 0.473543100000 -0.143614700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001331900000 0.383192200000 -0.144729300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000128100000 0.002433200000 0.411710900000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000014300000 -0.000088000000 0.194716800000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1143.400000000000 345.330000000000 134.460000000000 59.567000000000 28.283000000000 14.061000000000 7.139000000000 3.614800000000 1.807200000000 0.869440000000 0.370360000000 0.153000000000 2.276100000000 4.954200000000 10.783700000000
0.000130100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001257300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007288200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.028864700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.083898700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.181977100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.282605700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.322045300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.258163300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.118085000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019531800000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.284000000000 0.709700000000 2.746900000000 6.763900000000 16.655400000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.573000000000 4.146000000000 10.693800000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
8.508000000000
1.000000000000
Se:cc-pCV5Z
Dunning's correlation consistent basis set
7
0 1 2 3 4 5 6
12 10 9 7 5 3 1
30 17 17 7 5 3 1
154432250.000000000000 23129212.000000000000 5261792.900000000373 1488816.699999999953 484656.559999999998 174270.630000000005 67529.089999999997 27750.837000000000 11964.216000000000 5370.714800000000 2497.319400000000 1198.767900000000 592.580260000000 300.977080000000 156.460240000000 82.476086000000 42.270887000000 22.630220000000 12.122374000000 6.249170000000 3.242678000000 1.666362000000 0.787264000000 0.402972000000 0.187096000000 0.084706000000 3.432200000000 9.144600000000 24.364100000000 64.913900000000
0.000000200000 -0.000000100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000001500000 -0.000000500000 0.000000200000 -0.000000100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000008000000 -0.000002500000 0.000001000000 -0.000000300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000033800000 -0.000010600000 0.000004200000 -0.000001200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000123700000 -0.000038700000 0.000015200000 -0.000004500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000408400000 -0.000127900000 0.000050300000 -0.000014700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001243100000 -0.000389800000 0.000153500000 -0.000044900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003538900000 -0.001112300000 0.000437800000 -0.000128000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009482200000 -0.003000700000 0.001182700000 -0.000345700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.023890100000 -0.007656300000 0.003020800000 -0.000883400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.055875700000 -0.018422100000 0.007299200000 -0.002136300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.117910400000 -0.041018400000 0.016352800000 -0.004789200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.212796200000 -0.082302600000 0.033296200000 -0.009775800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.298930400000 -0.139884000000 0.058013900000 -0.017087700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.276565100000 -0.177033700000 0.077023300000 -0.022865600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.129294100000 -0.088776100000 0.041106500000 -0.012302800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.018587500000 0.225153700000 -0.122578200000 0.037525400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000077300000 0.520717100000 -0.385339700000 0.124434200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000342700000 0.364509300000 -0.367507300000 0.123119500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.007395500000 -0.002952800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.026754300000 -0.010828900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000059100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000584000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003525600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.015112700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.047844600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.117434500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.215907400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.292921600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.300086400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.213671900000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.084983300000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.011801200000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.210000000000 0.421100000000 0.844200000000 2.646600000000 5.678900000000 12.185700000000 26.147500000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.385000000000 0.865900000000 3.402200000000 7.294400000000 15.639600000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.723500000000 5.384200000000 12.616800000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
9.864100000000
1.000000000000
Se:aug-cc-pVDZ
Dunning's correlation consistent basis set
3
0 1 2
6 5 3
15 12 7
598990.000000000000 89783.000000000000 20435.000000000000 5786.900000000000 1887.300000000000 680.970000000000 265.390000000000 108.630000000000 33.760000000000 14.465000000000 4.389000000000 1.878300000000 0.358590000000 0.136490000000 0.048747000000
0.000200400000 -0.000062900000 0.000024700000 -0.000007200000 0.000000000000 0.000000000000
0.001555400000 -0.000485000000 0.000191300000 -0.000055900000 0.000000000000 0.000000000000
0.008087200000 -0.002564400000 0.001006800000 -0.000293800000 0.000000000000 0.000000000000
0.033034400000 -0.010476100000 0.004151400000 -0.001213600000 0.000000000000 0.000000000000
0.108292400000 -0.036722300000 0.014499100000 -0.004234000000 0.000000000000 0.000000000000
0.270336100000 -0.099922500000 0.040565800000 -0.011903500000 0.000000000000 0.000000000000
0.420623600000 -0.214197300000 0.088536400000 -0.026020600000 0.000000000000 0.000000000000
0.281592200000 -0.183659300000 0.085421200000 -0.025614800000 0.000000000000 0.000000000000
0.030811000000 0.467545400000 -0.293258100000 0.091942700000 0.000000000000 0.000000000000
-0.007161700000 0.641474000000 -0.557072700000 0.183870000000 0.000000000000 0.000000000000
0.002602200000 0.079256900000 0.526143600000 -0.218846100000 0.000000000000 0.000000000000
-0.001258300000 -0.014269700000 0.732037100000 -0.489652400000 0.000000000000 0.000000000000
0.000346500000 0.003379200000 0.038824600000 0.677581800000 0.000000000000 0.000000000000
-0.000150300000 -0.001453700000 -0.010503600000 0.529672100000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4135.600000000000 980.340000000000 316.350000000000 119.250000000000 49.068000000000 21.212000000000 8.946200000000 3.823600000000 1.588300000000 0.409690000000 0.124590000000 0.035492000000
0.001412700000 -0.000561000000 0.000136600000 0.000000000000 0.000000000000
0.011858800000 -0.004734000000 0.001130800000 0.000000000000 0.000000000000
0.059515300000 -0.024350400000 0.005958100000 0.000000000000 0.000000000000
0.197220100000 -0.084107100000 0.020186600000 0.000000000000 0.000000000000
0.400743900000 -0.184138400000 0.046193900000 0.000000000000 0.000000000000
0.399474000000 -0.173500400000 0.039405000000 0.000000000000 0.000000000000
0.115336400000 0.216726300000 -0.059284600000 0.000000000000 0.000000000000
0.000221900000 0.585009900000 -0.201466300000 0.000000000000 0.000000000000
0.002283800000 0.341681600000 -0.068782100000 0.000000000000 0.000000000000
-0.000475600000 0.019912500000 0.559594400000 0.000000000000 0.000000000000
0.000151600000 -0.002613100000 0.570978400000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
94.472000000000 27.180000000000 9.506800000000 3.416800000000 1.147900000000 0.368200000000 0.128300000000
0.023498200000 0.000000000000 0.000000000000
0.137518300000 0.000000000000 0.000000000000
0.366482400000 0.000000000000 0.000000000000
0.487471700000 0.000000000000 0.000000000000
0.276576900000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Se:aug-cc-pVTZ
Dunning's correlation consistent basis set
4
0 1 2 3
7 6 4 2
21 14 10 2
9563600.000000000000 1432100.000000000000 325910.000000000000 92312.000000000000 30116.000000000000 10872.000000000000 4240.100000000000 1758.400000000000 766.590000000000 348.430000000000 164.030000000000 79.142000000000 35.524000000000 17.305000000000 8.378400000000 3.740500000000 1.689000000000 0.509270000000 0.255200000000 0.106510000000 0.039201000000
0.000006300000 -0.000002000000 0.000000800000 -0.000000200000 0.000000000000 0.000000000000 0.000000000000
0.000048900000 -0.000015300000 0.000006000000 -0.000001800000 0.000000000000 0.000000000000 0.000000000000
0.000257400000 -0.000080600000 0.000031700000 -0.000009300000 0.000000000000 0.000000000000 0.000000000000
0.001086100000 -0.000340000000 0.000133700000 -0.000039100000 0.000000000000 0.000000000000 0.000000000000
0.003939900000 -0.001239700000 0.000488300000 -0.000142800000 0.000000000000 0.000000000000 0.000000000000
0.012704100000 -0.004017700000 0.001582100000 -0.000462700000 0.000000000000 0.000000000000 0.000000000000
0.036715600000 -0.011867200000 0.004691900000 -0.001372200000 0.000000000000 0.000000000000 0.000000000000
0.093867200000 -0.031534000000 0.012509800000 -0.003662800000 0.000000000000 0.000000000000 0.000000000000
0.201767700000 -0.074643900000 0.030038100000 -0.008806100000 0.000000000000 0.000000000000 0.000000000000
0.328054000000 -0.145217900000 0.059727100000 -0.017586700000 0.000000000000 0.000000000000 0.000000000000
0.323833400000 -0.203844100000 0.088469600000 -0.026207400000 0.000000000000 0.000000000000 0.000000000000
0.135233700000 -0.078871100000 0.036392000000 -0.010996400000 0.000000000000 0.000000000000 0.000000000000
0.011707500000 0.384582500000 -0.223532900000 0.069569700000 0.000000000000 0.000000000000 0.000000000000
-0.000343600000 0.586527000000 -0.512246200000 0.168394700000 0.000000000000 0.000000000000 0.000000000000
0.000166500000 0.197359100000 -0.108422400000 0.034616000000 0.000000000000 0.000000000000 0.000000000000
-0.000118800000 0.010010200000 0.693637200000 -0.297870200000 0.000000000000 0.000000000000 0.000000000000
0.000020400000 0.001316000000 0.555871100000 -0.432256900000 0.000000000000 0.000000000000 0.000000000000
-0.000011700000 -0.000210100000 0.040980600000 0.263161100000 1.000000000000 0.000000000000 0.000000000000
0.000008300000 0.000110900000 -0.011383200000 0.675721700000 0.000000000000 0.000000000000 0.000000000000
-0.000001900000 -0.000038000000 0.002425600000 0.295649500000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8004.300000000000 1896.900000000000 614.710000000000 233.500000000000 97.856000000000 43.514000000000 20.063000000000 9.112700000000 4.106300000000 1.794900000000 0.624320000000 0.246150000000 0.088917000000 0.030251000000
0.000450500000 -0.000178300000 0.000043000000 0.000000000000 0.000000000000 0.000000000000
0.003904900000 -0.001555400000 0.000377000000 0.000000000000 0.000000000000 0.000000000000
0.021090100000 -0.008472700000 0.002046500000 0.000000000000 0.000000000000 0.000000000000
0.081292000000 -0.033624500000 0.008189900000 0.000000000000 0.000000000000 0.000000000000
0.221784100000 -0.095826700000 0.023335600000 0.000000000000 0.000000000000 0.000000000000
0.390727000000 -0.181390700000 0.044981300000 0.000000000000 0.000000000000 0.000000000000
0.355971400000 -0.150315200000 0.035747500000 0.000000000000 0.000000000000 0.000000000000
0.107327200000 0.194826300000 -0.058686600000 0.000000000000 0.000000000000 0.000000000000
0.003698500000 0.541555400000 -0.170957300000 0.000000000000 0.000000000000 0.000000000000
0.001803200000 0.383729900000 -0.129358300000 0.000000000000 0.000000000000 0.000000000000
-0.000450100000 0.044423200000 0.264706300000 1.000000000000 0.000000000000 0.000000000000
0.000220800000 -0.005013200000 0.577806900000 0.000000000000 0.000000000000 0.000000000000
-0.000072200000 0.001687900000 0.327550800000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
361.850000000000 108.550000000000 41.433000000000 17.579000000000 7.862700000000 3.518000000000 1.534800000000 0.608130000000 0.222000000000 0.083700000000
0.001565500000 0.000000000000 0.000000000000 0.000000000000
0.013326200000 0.000000000000 0.000000000000 0.000000000000
0.060152700000 0.000000000000 0.000000000000 0.000000000000
0.174029300000 0.000000000000 0.000000000000 0.000000000000
0.319569000000 0.000000000000 0.000000000000 0.000000000000
0.381202900000 0.000000000000 0.000000000000 0.000000000000
0.274608600000 0.000000000000 0.000000000000 0.000000000000
0.078255100000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.462000000000 0.188000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Se:aug-cc-pVQZ
Dunning's correlation consistent basis set
4
0 1 2 3
8 7 5 3
22 17 13 3
15011000.000000000000 2247500.000000000000 511450.000000000000 144870.000000000000 47261.000000000000 17062.000000000000 6654.500000000000 2759.800000000000 1203.200000000000 546.530000000000 256.630000000000 123.140000000000 58.263000000000 29.023000000000 14.465000000000 6.934800000000 3.329900000000 1.560000000000 0.492910000000 0.235250000000 0.100370000000 0.038152000000
0.000003600000 -0.000001100000 0.000000400000 -0.000000100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000027900000 -0.000008700000 0.000003400000 -0.000001000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000146600000 -0.000045900000 0.000018100000 -0.000005300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000619000000 -0.000193900000 0.000076300000 -0.000022300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002251400000 -0.000706400000 0.000278100000 -0.000081400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007303000000 -0.002303000000 0.000906800000 -0.000264900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.021444200000 -0.006842500000 0.002699900000 -0.000790600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.056812200000 -0.018633500000 0.007372600000 -0.002153900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.132080700000 -0.045951200000 0.018336000000 -0.005381200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.252346900000 -0.099219300000 0.040181200000 -0.011769400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.345929600000 -0.172881300000 0.072486400000 -0.021462900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.262389000000 -0.188497300000 0.083562600000 -0.024690400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.066793800000 0.042261000000 -0.020759200000 0.005777400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000333200000 0.493679100000 -0.318353500000 0.101520900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001727500000 0.505281800000 -0.479833300000 0.157857000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000829900000 0.118415000000 0.059281900000 -0.022421900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000357800000 0.001956700000 0.717411600000 -0.329077600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000166600000 0.001964800000 0.463863600000 -0.387344300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000067700000 -0.000464400000 0.028997400000 0.340087700000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000040400000 0.000245900000 -0.006805400000 0.658935600000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000011000000 -0.000073500000 0.001643800000 0.249216100000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
25217.000000000000 5969.900000000000 1938.900000000000 741.660000000000 314.500000000000 143.310000000000 68.650000000000 33.995000000000 17.185000000000 8.574000000000 4.220600000000 2.052100000000 0.961560000000 0.421510000000 0.176260000000 0.070663000000 0.026569000000
0.000061000000 -0.000024100000 0.000005800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000542400000 -0.000215200000 0.000052000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003117400000 -0.001238600000 0.000299800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.013597700000 -0.005460700000 0.001320100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.047278800000 -0.019293600000 0.004685700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.129785600000 -0.054971500000 0.013373700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.265738300000 -0.117795200000 0.028924500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.367354400000 -0.174078200000 0.042945400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.274780500000 -0.095579800000 0.022327200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.079167900000 0.205971400000 -0.063603100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005134900000 0.473543100000 -0.143614700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001331900000 0.383192200000 -0.144729300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000203300000 0.092087200000 0.063038000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000128100000 0.002433200000 0.411710900000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000060900000 0.001193800000 0.497270000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000014300000 -0.000088000000 0.194716800000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1143.400000000000 345.330000000000 134.460000000000 59.567000000000 28.283000000000 14.061000000000 7.139000000000 3.614800000000 1.807200000000 0.869440000000 0.370360000000 0.153000000000 0.061900000000
0.000130100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001257300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007288200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.028864700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.083898700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.181977100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.282605700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.322045300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.258163300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.118085000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019531800000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.284000000000 0.709700000000 0.124000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Se:aug-cc-pV5Z
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
9 8 6 4 3 2
28 18 14 4 3 2
154432250.000000000000 23129212.000000000000 5261792.900000000373 1488816.699999999953 484656.559999999998 174270.630000000005 67529.089999999997 27750.837000000000 11964.216000000000 5370.714800000000 2497.319400000000 1198.767900000000 592.580260000000 300.977080000000 156.460240000000 82.476086000000 42.270887000000 22.630220000000 12.122374000000 6.249170000000 3.242678000000 1.666362000000 0.787264000000 0.402972000000 0.187096000000 0.084706000000 0.084706000000 0.033935000000
0.000000200000 -0.000000100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000001500000 -0.000000500000 0.000000200000 -0.000000100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000008000000 -0.000002500000 0.000001000000 -0.000000300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000033800000 -0.000010600000 0.000004200000 -0.000001200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000123700000 -0.000038700000 0.000015200000 -0.000004500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000408400000 -0.000127900000 0.000050300000 -0.000014700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001243100000 -0.000389800000 0.000153500000 -0.000044900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003538900000 -0.001112300000 0.000437800000 -0.000128000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009482200000 -0.003000700000 0.001182700000 -0.000345700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.023890100000 -0.007656300000 0.003020800000 -0.000883400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.055875700000 -0.018422100000 0.007299200000 -0.002136300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.117910400000 -0.041018400000 0.016352800000 -0.004789200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.212796200000 -0.082302600000 0.033296200000 -0.009775800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.298930400000 -0.139884000000 0.058013900000 -0.017087700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.276565100000 -0.177033700000 0.077023300000 -0.022865600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.129294100000 -0.088776100000 0.041106500000 -0.012302800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.018587500000 0.225153700000 -0.122578200000 0.037525400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000077300000 0.520717100000 -0.385339700000 0.124434200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000342700000 0.364509300000 -0.367507300000 0.123119500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000175300000 0.073616900000 0.157434000000 -0.062433000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000035700000 0.002354000000 0.644087200000 -0.289483400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000018200000 -0.000394500000 0.059998900000 -0.009532800000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000008800000 0.000183100000 -0.002197900000 0.526922500000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000003800000 -0.000087500000 0.001317800000 0.559253900000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
-0.000000800000 0.000015600000 -0.000089200000 0.143302800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
36511.337000000000 8640.550999999999 2805.691100000000 1073.496100000000 455.774750000000 208.094320000000 100.231110000000 50.073522000000 25.700262000000 13.346792000000 6.787051000000 3.391654000000 1.670327000000 0.752599000000 0.346813000000 0.151855000000 0.063856000000 0.024975000000
0.000032000000 -0.000012700000 0.000003100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000285400000 -0.000113000000 0.000027300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001656700000 -0.000658200000 0.000159300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007395500000 -0.002952800000 0.000713600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.026754300000 -0.010828900000 0.002626000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.079098900000 -0.032812400000 0.007966700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.183796700000 -0.079507000000 0.019444000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.313804100000 -0.143027400000 0.035132800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.344365000000 -0.162778700000 0.040402800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.189859100000 -0.004298300000 -0.003396900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.037919300000 0.309182900000 -0.092099900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002178100000 0.477601300000 -0.153509000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000659000000 0.292852600000 -0.105870500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000052400000 0.046641900000 0.152803700000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000035700000 -0.000727800000 0.437381300000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000022200000 0.001266600000 0.439930600000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000003700000 -0.000153200000 0.147581700000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1635.066300000000 494.672660000000 192.843880000000 85.782195000000 41.149966000000 20.678170000000 10.726386000000 5.612454000000 2.920376000000 1.498184000000 0.735999000000 0.316004000000 0.133100000000 0.054800000000
0.000059100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000584000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003525600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.015112700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.047844600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.117434500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.215907400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.292921600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.300086400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.213671900000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.084983300000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.011801200000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.210000000000 0.421100000000 0.844200000000 0.099200000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.385000000000 0.865900000000 0.183000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.723500000000 0.402000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Se:aug-cc-pCVDZ
Dunning's correlation consistent basis set
4
0 1 2 3
7 6 4 1
16 13 8 1
598990.000000000000 89783.000000000000 20435.000000000000 5786.900000000000 1887.300000000000 680.970000000000 265.390000000000 108.630000000000 33.760000000000 14.465000000000 4.389000000000 1.878300000000 0.358590000000 0.136490000000 1.805500000000 0.048747000000
0.000200400000 -0.000062900000 0.000024700000 -0.000007200000 0.000000000000 0.000000000000 0.000000000000
0.001555400000 -0.000485000000 0.000191300000 -0.000055900000 0.000000000000 0.000000000000 0.000000000000
0.008087200000 -0.002564400000 0.001006800000 -0.000293800000 0.000000000000 0.000000000000 0.000000000000
0.033034400000 -0.010476100000 0.004151400000 -0.001213600000 0.000000000000 0.000000000000 0.000000000000
0.108292400000 -0.036722300000 0.014499100000 -0.004234000000 0.000000000000 0.000000000000 0.000000000000
0.270336100000 -0.099922500000 0.040565800000 -0.011903500000 0.000000000000 0.000000000000 0.000000000000
0.420623600000 -0.214197300000 0.088536400000 -0.026020600000 0.000000000000 0.000000000000 0.000000000000
0.281592200000 -0.183659300000 0.085421200000 -0.025614800000 0.000000000000 0.000000000000 0.000000000000
0.030811000000 0.467545400000 -0.293258100000 0.091942700000 0.000000000000 0.000000000000 0.000000000000
-0.007161700000 0.641474000000 -0.557072700000 0.183870000000 0.000000000000 0.000000000000 0.000000000000
0.002602200000 0.079256900000 0.526143600000 -0.218846100000 0.000000000000 0.000000000000 0.000000000000
-0.001258300000 -0.014269700000 0.732037100000 -0.489652400000 0.000000000000 0.000000000000 0.000000000000
0.000346500000 0.003379200000 0.038824600000 0.677581800000 0.000000000000 0.000000000000 0.000000000000
-0.000150300000 -0.001453700000 -0.010503600000 0.529672100000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4135.600000000000 980.340000000000 316.350000000000 119.250000000000 49.068000000000 21.212000000000 8.946200000000 3.823600000000 1.588300000000 0.409690000000 0.124590000000 2.098400000000 0.035492000000
0.001412700000 -0.000561000000 0.000136600000 0.000000000000 0.000000000000 0.000000000000
0.011858800000 -0.004734000000 0.001130800000 0.000000000000 0.000000000000 0.000000000000
0.059515300000 -0.024350400000 0.005958100000 0.000000000000 0.000000000000 0.000000000000
0.197220100000 -0.084107100000 0.020186600000 0.000000000000 0.000000000000 0.000000000000
0.400743900000 -0.184138400000 0.046193900000 0.000000000000 0.000000000000 0.000000000000
0.399474000000 -0.173500400000 0.039405000000 0.000000000000 0.000000000000 0.000000000000
0.115336400000 0.216726300000 -0.059284600000 0.000000000000 0.000000000000 0.000000000000
0.000221900000 0.585009900000 -0.201466300000 0.000000000000 0.000000000000 0.000000000000
0.002283800000 0.341681600000 -0.068782100000 0.000000000000 0.000000000000 0.000000000000
-0.000475600000 0.019912500000 0.559594400000 0.000000000000 0.000000000000 0.000000000000
0.000151600000 -0.002613100000 0.570978400000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
94.472000000000 27.180000000000 9.506800000000 3.416800000000 1.147900000000 0.368200000000 1.958800000000 0.128300000000
0.023498200000 0.000000000000 0.000000000000 0.000000000000
0.137518300000 0.000000000000 0.000000000000 0.000000000000
0.366482400000 0.000000000000 0.000000000000 0.000000000000
0.487471700000 0.000000000000 0.000000000000 0.000000000000
0.276576900000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.358800000000
1.000000000000
Se:aug-cc-pCVTZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
9 8 6 4 1
23 16 12 4 1
9563600.000000000000 1432100.000000000000 325910.000000000000 92312.000000000000 30116.000000000000 10872.000000000000 4240.100000000000 1758.400000000000 766.590000000000 348.430000000000 164.030000000000 79.142000000000 35.524000000000 17.305000000000 8.378400000000 3.740500000000 1.689000000000 0.509270000000 0.255200000000 0.106510000000 1.786700000000 8.778000000000 0.039201000000
0.000006300000 -0.000002000000 0.000000800000 -0.000000200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000048900000 -0.000015300000 0.000006000000 -0.000001800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000257400000 -0.000080600000 0.000031700000 -0.000009300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001086100000 -0.000340000000 0.000133700000 -0.000039100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003939900000 -0.001239700000 0.000488300000 -0.000142800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.012704100000 -0.004017700000 0.001582100000 -0.000462700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036715600000 -0.011867200000 0.004691900000 -0.001372200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.093867200000 -0.031534000000 0.012509800000 -0.003662800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.201767700000 -0.074643900000 0.030038100000 -0.008806100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.328054000000 -0.145217900000 0.059727100000 -0.017586700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.323833400000 -0.203844100000 0.088469600000 -0.026207400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.135233700000 -0.078871100000 0.036392000000 -0.010996400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.011707500000 0.384582500000 -0.223532900000 0.069569700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000343600000 0.586527000000 -0.512246200000 0.168394700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000166500000 0.197359100000 -0.108422400000 0.034616000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000118800000 0.010010200000 0.693637200000 -0.297870200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000020400000 0.001316000000 0.555871100000 -0.432256900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000011700000 -0.000210100000 0.040980600000 0.263161100000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000008300000 0.000110900000 -0.011383200000 0.675721700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000001900000 -0.000038000000 0.002425600000 0.295649500000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8004.300000000000 1896.900000000000 614.710000000000 233.500000000000 97.856000000000 43.514000000000 20.063000000000 9.112700000000 4.106300000000 1.794900000000 0.624320000000 0.246150000000 0.088917000000 2.164700000000 11.583500000000 0.030251000000
0.000450500000 -0.000178300000 0.000043000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003904900000 -0.001555400000 0.000377000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.021090100000 -0.008472700000 0.002046500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.081292000000 -0.033624500000 0.008189900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.221784100000 -0.095826700000 0.023335600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.390727000000 -0.181390700000 0.044981300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.355971400000 -0.150315200000 0.035747500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.107327200000 0.194826300000 -0.058686600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003698500000 0.541555400000 -0.170957300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001803200000 0.383729900000 -0.129358300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000450100000 0.044423200000 0.264706300000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000220800000 -0.005013200000 0.577806900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000072200000 0.001687900000 0.327550800000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
361.850000000000 108.550000000000 41.433000000000 17.579000000000 7.862700000000 3.518000000000 1.534800000000 0.608130000000 0.222000000000 2.169700000000 6.029100000000 0.083700000000
0.001565500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.013326200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.060152700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.174029300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.319569000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.381202900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.274608600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.078255100000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.462000000000 3.132300000000 9.659700000000 0.188000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.406300000000
1.000000000000
Se:aug-cc-pCVQZ
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
11 10 8 6 4 1
25 20 16 6 4 1
15011000.000000000000 2247500.000000000000 511450.000000000000 144870.000000000000 47261.000000000000 17062.000000000000 6654.500000000000 2759.800000000000 1203.200000000000 546.530000000000 256.630000000000 123.140000000000 58.263000000000 29.023000000000 14.465000000000 6.934800000000 3.329900000000 1.560000000000 0.492910000000 0.235250000000 0.100370000000 3.170800000000 9.268700000000 27.093700000000 0.038152000000
0.000003600000 -0.000001100000 0.000000400000 -0.000000100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000027900000 -0.000008700000 0.000003400000 -0.000001000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000146600000 -0.000045900000 0.000018100000 -0.000005300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000619000000 -0.000193900000 0.000076300000 -0.000022300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002251400000 -0.000706400000 0.000278100000 -0.000081400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007303000000 -0.002303000000 0.000906800000 -0.000264900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.021444200000 -0.006842500000 0.002699900000 -0.000790600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.056812200000 -0.018633500000 0.007372600000 -0.002153900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.132080700000 -0.045951200000 0.018336000000 -0.005381200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.252346900000 -0.099219300000 0.040181200000 -0.011769400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.345929600000 -0.172881300000 0.072486400000 -0.021462900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.262389000000 -0.188497300000 0.083562600000 -0.024690400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.066793800000 0.042261000000 -0.020759200000 0.005777400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000333200000 0.493679100000 -0.318353500000 0.101520900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001727500000 0.505281800000 -0.479833300000 0.157857000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000829900000 0.118415000000 0.059281900000 -0.022421900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000357800000 0.001956700000 0.717411600000 -0.329077600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000166600000 0.001964800000 0.463863600000 -0.387344300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000067700000 -0.000464400000 0.028997400000 0.340087700000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000040400000 0.000245900000 -0.006805400000 0.658935600000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000011000000 -0.000073500000 0.001643800000 0.249216100000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
25217.000000000000 5969.900000000000 1938.900000000000 741.660000000000 314.500000000000 143.310000000000 68.650000000000 33.995000000000 17.185000000000 8.574000000000 4.220600000000 2.052100000000 0.961560000000 0.421510000000 0.176260000000 0.070663000000 2.570500000000 9.600100000000 35.853600000000 0.026569000000
0.000061000000 -0.000024100000 0.000005800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000542400000 -0.000215200000 0.000052000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003117400000 -0.001238600000 0.000299800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.013597700000 -0.005460700000 0.001320100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.047278800000 -0.019293600000 0.004685700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.129785600000 -0.054971500000 0.013373700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.265738300000 -0.117795200000 0.028924500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.367354400000 -0.174078200000 0.042945400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.274780500000 -0.095579800000 0.022327200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.079167900000 0.205971400000 -0.063603100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005134900000 0.473543100000 -0.143614700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001331900000 0.383192200000 -0.144729300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000128100000 0.002433200000 0.411710900000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000014300000 -0.000088000000 0.194716800000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1143.400000000000 345.330000000000 134.460000000000 59.567000000000 28.283000000000 14.061000000000 7.139000000000 3.614800000000 1.807200000000 0.869440000000 0.370360000000 0.153000000000 2.276100000000 4.954200000000 10.783700000000 0.061900000000
0.000130100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001257300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007288200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.028864700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.083898700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.181977100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.282605700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.322045300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.258163300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.118085000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019531800000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.284000000000 0.709700000000 2.746900000000 6.763900000000 16.655400000000 0.124000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.573000000000 0.263000000000 4.146000000000 10.693800000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.508000000000
1.000000000000
Se:aug-cc-pCV5Z
Dunning's correlation consistent basis set
7
0 1 2 3 4 5 6
13 11 10 8 6 4 1
31 18 18 8 6 4 1
154432250.000000000000 23129212.000000000000 5261792.900000000373 1488816.699999999953 484656.559999999998 174270.630000000005 67529.089999999997 27750.837000000000 11964.216000000000 5370.714800000000 2497.319400000000 1198.767900000000 592.580260000000 300.977080000000 156.460240000000 82.476086000000 42.270887000000 22.630220000000 12.122374000000 6.249170000000 3.242678000000 1.666362000000 0.787264000000 0.402972000000 0.187096000000 0.084706000000 3.432200000000 9.144600000000 24.364100000000 64.913900000000 0.033935000000
0.000000200000 -0.000000100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000001500000 -0.000000500000 0.000000200000 -0.000000100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000008000000 -0.000002500000 0.000001000000 -0.000000300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000033800000 -0.000010600000 0.000004200000 -0.000001200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000123700000 -0.000038700000 0.000015200000 -0.000004500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000408400000 -0.000127900000 0.000050300000 -0.000014700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001243100000 -0.000389800000 0.000153500000 -0.000044900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003538900000 -0.001112300000 0.000437800000 -0.000128000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009482200000 -0.003000700000 0.001182700000 -0.000345700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.023890100000 -0.007656300000 0.003020800000 -0.000883400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.055875700000 -0.018422100000 0.007299200000 -0.002136300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.117910400000 -0.041018400000 0.016352800000 -0.004789200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.212796200000 -0.082302600000 0.033296200000 -0.009775800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.298930400000 -0.139884000000 0.058013900000 -0.017087700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.276565100000 -0.177033700000 0.077023300000 -0.022865600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.129294100000 -0.088776100000 0.041106500000 -0.012302800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.018587500000 0.225153700000 -0.122578200000 0.037525400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000077300000 0.520717100000 -0.385339700000 0.124434200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000342700000 0.364509300000 -0.367507300000 0.123119500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000175300000 0.073616900000 0.157434000000 -0.062433000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000035700000 0.002354000000 0.644087200000 -0.289483400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000040700000 0.001694700000 0.448220900000 -0.374439900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000018200000 -0.000394500000 0.059998900000 -0.009532800000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000008800000 0.000183100000 -0.002197900000 0.526922500000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000003800000 -0.000087500000 0.001317800000 0.559253900000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000000800000 0.000015600000 -0.000089200000 0.143302800000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
36511.337000000000 8640.550999999999 2805.691100000000 1073.496100000000 455.774750000000 208.094320000000 100.231110000000 50.073522000000 25.700262000000 13.346792000000 6.787051000000 3.391654000000 1.670327000000 0.752599000000 0.346813000000 0.151855000000 0.063856000000 0.024975000000
0.000032000000 -0.000012700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000285400000 -0.000113000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001656700000 -0.000658200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007395500000 -0.002952800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.026754300000 -0.010828900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.079098900000 -0.032812400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.183796700000 -0.079507000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.313804100000 -0.143027400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.344365000000 -0.162778700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1635.066300000000 494.672660000000 192.843880000000 85.782195000000 41.149966000000 20.678170000000 10.726386000000 5.612454000000 2.920376000000 1.498184000000 0.735999000000 0.316004000000 3.216500000000 5.970100000000 11.081000000000 20.567400000000 0.054800000000 0.133100000000
0.000059100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000584000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003525600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.015112700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.047844600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.117434500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.215907400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.292921600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.300086400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.213671900000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.084983300000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.011801200000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.210000000000 0.421100000000 0.844200000000 0.099200000000 2.646600000000 5.678900000000 12.185700000000 26.147500000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.385000000000 0.865900000000 0.183000000000 3.402200000000 7.294400000000 15.639600000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.723500000000 5.384200000000 12.616800000000 0.402000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.864100000000
1.000000000000
Se:cc-pVDZ-PP
Peterson's correlation consistent ECP basis set
3
0 1 2
4 3 2
8 7 7
2609.720400000000 391.522800000000 48.289300000000 16.801900000000 3.514900000000 1.589400000000 0.383000000000 0.139900000000
0.001829000000 -0.000694000000 0.000000000000 0.000000000000
0.009706000000 -0.003866000000 0.000000000000 0.000000000000
0.071606000000 -0.024839000000 0.000000000000 0.000000000000
-0.383980000000 0.140207000000 0.000000000000 0.000000000000
0.691926000000 -0.342280000000 0.000000000000 0.000000000000
0.491893000000 -0.364598000000 0.000000000000 0.000000000000
0.021091000000 0.698440000000 1.000000000000 0.000000000000
-0.003916000000 0.532390000000 0.000000000000 1.000000000000
100.019200000000 25.890900000000 6.209300000000 2.661300000000 1.092900000000 0.359700000000 0.113700000000
0.004761000000 -0.001058000000 0.000000000000
-0.084899000000 0.021709000000 0.000000000000
0.428655000000 -0.126243000000 0.000000000000
0.543060000000 -0.193545000000 0.000000000000
0.149283000000 0.047373000000 0.000000000000
0.001071000000 0.591806000000 0.000000000000
0.001019000000 0.499759000000 1.000000000000
128.508000000000 41.521200000000 15.518200000000 6.160820000000 2.411340000000 0.871936000000 0.365600000000
0.011011000000 0.000000000000
0.077856000000 0.000000000000
0.232819000000 0.000000000000
0.401788000000 0.000000000000
0.408946000000 0.000000000000
0.168093000000 0.000000000000
0.007754000000 1.000000000000
Se:cc-pVTZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
5 4 3 1
10 11 9 1
8991.799999999999 1355.200000000000 303.498000000000 44.387000000000 17.158100000000 3.502620000000 1.615830000000 0.504621000000 0.240728000000 0.102598000000
0.000421000000 -0.000165000000 0.000000000000 0.000000000000 0.000000000000
0.002933000000 -0.001104000000 0.000000000000 0.000000000000 0.000000000000
0.009870000000 -0.004015000000 0.000000000000 0.000000000000 0.000000000000
0.080860000000 -0.027628000000 0.000000000000 0.000000000000 0.000000000000
-0.391490000000 0.141582000000 0.000000000000 0.000000000000 0.000000000000
0.686327000000 -0.331609000000 0.000000000000 0.000000000000 0.000000000000
0.485582000000 -0.384876000000 0.000000000000 0.000000000000 0.000000000000
0.032535000000 0.347298000000 1.000000000000 0.000000000000 0.000000000000
-0.007903000000 0.652783000000 0.000000000000 1.000000000000 0.000000000000
0.001868000000 0.244843000000 0.000000000000 0.000000000000 1.000000000000
491.897000000000 89.232800000000 25.506900000000 6.699920000000 3.187720000000 1.483850000000 0.562135000000 0.221055000000 0.082252000000 0.636400000000 0.097800000000
0.000368000000 -0.000115000000 0.000000000000 0.000000000000
0.004872000000 -0.001102000000 0.000000000000 0.000000000000
-0.088547000000 0.023025000000 0.000000000000 0.000000000000
0.346637000000 -0.104422000000 0.000000000000 0.000000000000
0.506878000000 -0.164098000000 0.000000000000 0.000000000000
0.251506000000 -0.072409000000 0.000000000000 0.000000000000
0.021995000000 0.327819000000 0.000000000000 0.000000000000
-0.001235000000 0.561198000000 0.000000000000 0.000000000000
0.000610000000 0.278491000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
301.868000000000 92.125400000000 37.908100000000 16.417100000000 7.414960000000 3.337380000000 1.464380000000 0.582516000000 0.216200000000
0.001637000000 0.000000000000 0.000000000000
0.016967000000 0.000000000000 0.000000000000
0.074176000000 0.000000000000 0.000000000000
0.189483000000 0.000000000000 0.000000000000
0.323494000000 0.000000000000 0.000000000000
0.371542000000 0.000000000000 0.000000000000
0.259778000000 0.000000000000 0.000000000000
0.072011000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.469600000000
1.000000000000
Se:cc-pVQZ-PP
Peterson's correlation consistent ECP basis set
5
0 1 2 3 4
6 5 4 2 1
14 11 12 2 1
73612.100000000006 11056.700000000001 2517.520000000000 711.783000000000 226.628000000000 36.413100000000 22.760100000000 13.306200000000 4.054500000000 2.144980000000 1.121470000000 0.469424000000 0.212697000000 0.093027000000
0.000031000000 -0.000012000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000241000000 -0.000092000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001194000000 -0.000472000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004206000000 -0.001595000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009278000000 -0.003786000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.159695000000 -0.057493000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.284634000000 0.108668000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.212574000000 0.069968000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.495106000000 -0.213946000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.554903000000 -0.375685000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.166604000000 -0.152332000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.006765000000 0.467150000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000008000000 0.615687000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000194000000 0.181133000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
474.007000000000 83.469100000000 39.004500000000 24.385600000000 7.051330000000 3.553800000000 1.763760000000 0.820556000000 0.368106000000 0.158398000000 0.065642000000
0.000394000000 -0.000101000000 0.000000000000 0.000000000000 0.000000000000
0.005860000000 -0.001712000000 0.000000000000 0.000000000000 0.000000000000
-0.006976000000 0.003142000000 0.000000000000 0.000000000000 0.000000000000
-0.085822000000 0.021109000000 0.000000000000 0.000000000000 0.000000000000
0.299418000000 -0.090793000000 0.000000000000 0.000000000000 0.000000000000
0.472525000000 -0.144938000000 0.000000000000 0.000000000000 0.000000000000
0.302252000000 -0.116272000000 0.000000000000 0.000000000000 0.000000000000
0.054021000000 0.130599000000 0.000000000000 0.000000000000 0.000000000000
0.000416000000 0.434615000000 1.000000000000 0.000000000000 0.000000000000
0.001031000000 0.455333000000 0.000000000000 1.000000000000 0.000000000000
-0.000098000000 0.159382000000 0.000000000000 0.000000000000 1.000000000000
1001.070000000000 303.646000000000 119.305000000000 55.113500000000 27.055800000000 13.626400000000 6.962500000000 3.538510000000 1.773210000000 0.853473000000 0.363650000000 0.150600000000
0.000112000000 0.000000000000 0.000000000000 0.000000000000
0.001174000000 0.000000000000 0.000000000000 0.000000000000
0.007921000000 0.000000000000 0.000000000000 0.000000000000
0.036042000000 0.000000000000 0.000000000000 0.000000000000
0.092911000000 0.000000000000 0.000000000000 0.000000000000
0.188266000000 0.000000000000 0.000000000000 0.000000000000
0.281326000000 0.000000000000 0.000000000000 0.000000000000
0.315995000000 0.000000000000 0.000000000000 0.000000000000
0.252030000000 0.000000000000 0.000000000000 0.000000000000
0.115181000000 1.000000000000 0.000000000000 0.000000000000
0.019133000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.710900000000 0.284700000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.581700000000
1.000000000000
Se:cc-pV5Z-PP
Peterson's correlation consistent ECP basis set
6
0 1 2 3 4 5
7 6 5 3 2 1
16 13 13 3 2 1
190762.000000000000 28502.400000000001 6487.760000000000 1840.180000000000 601.037000000000 211.485000000000 35.589600000000 22.244900000000 11.102900000000 5.915500000000 3.047990000000 1.548170000000 0.614793000000 0.362313000000 0.177517000000 0.082226000000
0.000010000000 -0.000004000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000075000000 -0.000029000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000385000000 -0.000146000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001497000000 -0.000597000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004447000000 -0.001669000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008843000000 -0.003655000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.171600000000 -0.061261000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.340518000000 0.127512000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.226853000000 0.073687000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.216776000000 -0.077165000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.635632000000 -0.333646000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.395490000000 -0.330133000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.040694000000 0.119748000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.009402000000 0.511735000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.002687000000 0.496483000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
-0.000355000000 0.116476000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1292.490000000000 305.016000000000 71.156300000000 33.559400000000 20.979500000000 7.940490000000 4.315010000000 2.285770000000 1.186340000000 0.560165000000 0.263905000000 0.121571000000 0.054486000000
0.000079000000 -0.000022000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000538000000 -0.000144000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008075000000 -0.002205000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.033414000000 0.009895000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.070929000000 0.017469000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.214498000000 -0.065619000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.414617000000 -0.122108000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.365403000000 -0.135746000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.131236000000 -0.003904000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.012050000000 0.270890000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000580000000 0.446096000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000292000000 0.346686000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000025000000 0.089647000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1240.430000000000 376.754000000000 148.278000000000 67.934800000000 34.376500000000 17.706600000000 9.367010000000 4.978220000000 2.631730000000 1.369220000000 0.678817000000 0.291818000000 0.123400000000
0.000069000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000724000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004833000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.023900000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.066148000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.140573000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.230245000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.289309000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.281386000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.190995000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.072539000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.009473000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.844100000000 0.423800000000 0.212800000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.860800000000 0.386400000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.736100000000
1.000000000000
Se:aug-cc-pVDZ-PP
Peterson's correlation consistent ECP basis set
3
0 1 2
5 4 3
9 8 8
2609.720400000000 391.522800000000 48.289300000000 16.801900000000 3.514900000000 1.589400000000 0.383000000000 0.139900000000 0.043300000000
0.001829000000 -0.000694000000 0.000000000000 0.000000000000 0.000000000000
0.009706000000 -0.003866000000 0.000000000000 0.000000000000 0.000000000000
0.071606000000 -0.024839000000 0.000000000000 0.000000000000 0.000000000000
-0.383980000000 0.140207000000 0.000000000000 0.000000000000 0.000000000000
0.691926000000 -0.342280000000 0.000000000000 0.000000000000 0.000000000000
0.491893000000 -0.364598000000 0.000000000000 0.000000000000 0.000000000000
0.021091000000 0.698440000000 1.000000000000 0.000000000000 0.000000000000
-0.003916000000 0.532390000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
100.019200000000 25.890900000000 6.209300000000 2.661300000000 1.092900000000 0.359700000000 0.113700000000 0.034500000000
0.004761000000 -0.001058000000 0.000000000000 0.000000000000
-0.084899000000 0.021709000000 0.000000000000 0.000000000000
0.428655000000 -0.126243000000 0.000000000000 0.000000000000
0.543060000000 -0.193545000000 0.000000000000 0.000000000000
0.149283000000 0.047373000000 0.000000000000 0.000000000000
0.001071000000 0.591806000000 0.000000000000 0.000000000000
0.001019000000 0.499759000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
128.508000000000 41.521200000000 15.518200000000 6.160820000000 2.411340000000 0.871936000000 0.365600000000 0.126000000000
0.011011000000 0.000000000000 0.000000000000
0.077856000000 0.000000000000 0.000000000000
0.232819000000 0.000000000000 0.000000000000
0.401788000000 0.000000000000 0.000000000000
0.408946000000 0.000000000000 0.000000000000
0.168093000000 0.000000000000 0.000000000000
0.007754000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Se:aug-cc-pVTZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
6 5 4 2
11 12 10 2
8991.799999999999 1355.200000000000 303.498000000000 44.387000000000 17.158100000000 3.502620000000 1.615830000000 0.504621000000 0.240728000000 0.102598000000 0.038400000000
0.000421000000 -0.000165000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002933000000 -0.001104000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009870000000 -0.004015000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.080860000000 -0.027628000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.391490000000 0.141582000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.686327000000 -0.331609000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.485582000000 -0.384876000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.032535000000 0.347298000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.007903000000 0.652783000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.001868000000 0.244843000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
491.897000000000 89.232800000000 25.506900000000 6.699920000000 3.187720000000 1.483850000000 0.562135000000 0.221055000000 0.082252000000 0.636400000000 0.097800000000 0.032700000000
0.000368000000 -0.000115000000 0.000000000000 0.000000000000 0.000000000000
0.004872000000 -0.001102000000 0.000000000000 0.000000000000 0.000000000000
-0.088547000000 0.023025000000 0.000000000000 0.000000000000 0.000000000000
0.346637000000 -0.104422000000 0.000000000000 0.000000000000 0.000000000000
0.506878000000 -0.164098000000 0.000000000000 0.000000000000 0.000000000000
0.251506000000 -0.072409000000 0.000000000000 0.000000000000 0.000000000000
0.021995000000 0.327819000000 0.000000000000 0.000000000000 0.000000000000
-0.001235000000 0.561198000000 0.000000000000 0.000000000000 0.000000000000
0.000610000000 0.278491000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
301.868000000000 92.125400000000 37.908100000000 16.417100000000 7.414960000000 3.337380000000 1.464380000000 0.582516000000 0.216200000000 0.081900000000
0.001637000000 0.000000000000 0.000000000000 0.000000000000
0.016967000000 0.000000000000 0.000000000000 0.000000000000
0.074176000000 0.000000000000 0.000000000000 0.000000000000
0.189483000000 0.000000000000 0.000000000000 0.000000000000
0.323494000000 0.000000000000 0.000000000000 0.000000000000
0.371542000000 0.000000000000 0.000000000000 0.000000000000
0.259778000000 0.000000000000 0.000000000000 0.000000000000
0.072011000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.469600000000 0.184200000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Se:aug-cc-pVQZ-PP
Peterson's correlation consistent ECP basis set
5
0 1 2 3 4
7 6 5 3 2
15 12 13 3 2
73612.100000000006 11056.700000000001 2517.520000000000 711.783000000000 226.628000000000 36.413100000000 22.760100000000 13.306200000000 4.054500000000 2.144980000000 1.121470000000 0.469424000000 0.212697000000 0.093027000000 0.035900000000
0.000031000000 -0.000012000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000241000000 -0.000092000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001194000000 -0.000472000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004206000000 -0.001595000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009278000000 -0.003786000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.159695000000 -0.057493000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.284634000000 0.108668000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.212574000000 0.069968000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.495106000000 -0.213946000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.554903000000 -0.375685000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.166604000000 -0.152332000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.006765000000 0.467150000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000008000000 0.615687000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000194000000 0.181133000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
474.007000000000 83.469100000000 39.004500000000 24.385600000000 7.051330000000 3.553800000000 1.763760000000 0.820556000000 0.368106000000 0.158398000000 0.065642000000 0.025300000000
0.000394000000 -0.000101000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005860000000 -0.001712000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.006976000000 0.003142000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.085822000000 0.021109000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.299418000000 -0.090793000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.472525000000 -0.144938000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.302252000000 -0.116272000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054021000000 0.130599000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000416000000 0.434615000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001031000000 0.455333000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
-0.000098000000 0.159382000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1001.070000000000 303.646000000000 119.305000000000 55.113500000000 27.055800000000 13.626400000000 6.962500000000 3.538510000000 1.773210000000 0.853473000000 0.363650000000 0.150600000000 0.059700000000
0.000112000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001174000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007921000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036042000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.092911000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.188266000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.281326000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.315995000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.252030000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.115181000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019133000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.710900000000 0.284700000000 0.119300000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.581700000000 0.260200000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Se:aug-cc-pV5Z-PP
Peterson's correlation consistent ECP basis set
6
0 1 2 3 4 5
8 7 6 4 3 2
17 14 14 4 3 2
190762.000000000000 28502.400000000001 6487.760000000000 1840.180000000000 601.037000000000 211.485000000000 35.589600000000 22.244900000000 11.102900000000 5.915500000000 3.047990000000 1.548170000000 0.614793000000 0.362313000000 0.177517000000 0.082226000000 0.033000000000
0.000010000000 -0.000004000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000075000000 -0.000029000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000385000000 -0.000146000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001497000000 -0.000597000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004447000000 -0.001669000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008843000000 -0.003655000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.171600000000 -0.061261000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.340518000000 0.127512000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.226853000000 0.073687000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.216776000000 -0.077165000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.635632000000 -0.333646000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.395490000000 -0.330133000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.040694000000 0.119748000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.009402000000 0.511735000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002687000000 0.496483000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
-0.000355000000 0.116476000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1292.490000000000 305.016000000000 71.156300000000 33.559400000000 20.979500000000 7.940490000000 4.315010000000 2.285770000000 1.186340000000 0.560165000000 0.263905000000 0.121571000000 0.054486000000 0.022700000000
0.000079000000 -0.000022000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000538000000 -0.000144000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008075000000 -0.002205000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.033414000000 0.009895000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.070929000000 0.017469000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.214498000000 -0.065619000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.414617000000 -0.122108000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.365403000000 -0.135746000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.131236000000 -0.003904000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.012050000000 0.270890000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000580000000 0.446096000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000292000000 0.346686000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000025000000 0.089647000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1240.430000000000 376.754000000000 148.278000000000 67.934800000000 34.376500000000 17.706600000000 9.367010000000 4.978220000000 2.631730000000 1.369220000000 0.678817000000 0.291818000000 0.123400000000 0.051000000000
0.000069000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000724000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004833000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.023900000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.066148000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.140573000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.230245000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.289309000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.281386000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.190995000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.072539000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009473000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.844100000000 0.423800000000 0.212800000000 0.094700000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.860800000000 0.386400000000 0.178900000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.736100000000 0.390600000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Se:aug-cc-pwCVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
6 5 4 1
10 9 9 1
2609.720000000000 391.522800000000 48.289300000000 16.801900000000 3.514900000000 1.634000000000 1.589400000000 0.383000000000 0.139900000000 0.043300000000
0.001829000000 0.000000000000 0.000000000000 -0.000694000000 0.000000000000 0.000000000000
0.009706000000 0.000000000000 0.000000000000 -0.003866000000 0.000000000000 0.000000000000
0.071606000000 0.000000000000 0.000000000000 -0.024839000000 0.000000000000 0.000000000000
-0.383980000000 0.000000000000 0.000000000000 0.140207000000 0.000000000000 0.000000000000
0.691926000000 0.000000000000 0.000000000000 -0.342280000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.491893000000 0.000000000000 0.000000000000 -0.364598000000 0.000000000000 0.000000000000
0.021091000000 0.000000000000 1.000000000000 0.698440000000 0.000000000000 0.000000000000
-0.003916000000 0.000000000000 0.000000000000 0.532390000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
100.019200000000 25.890900000000 6.209300000000 2.661300000000 1.440500000000 1.092900000000 0.359700000000 0.113700000000 0.034500000000
0.004761000000 0.000000000000 -0.001058000000 0.000000000000 0.000000000000
-0.084899000000 0.000000000000 0.021709000000 0.000000000000 0.000000000000
0.428655000000 0.000000000000 -0.126243000000 0.000000000000 0.000000000000
0.543060000000 0.000000000000 -0.193545000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.149283000000 0.000000000000 0.047373000000 0.000000000000 0.000000000000
0.001071000000 0.000000000000 0.591806000000 0.000000000000 0.000000000000
0.001019000000 0.000000000000 0.499759000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
128.508000000000 41.521200000000 15.518200000000 6.160820000000 2.411340000000 1.223800000000 0.871936000000 0.365600000000 0.126000000000
0.011011000000 0.000000000000 0.000000000000 0.000000000000
0.077856000000 0.000000000000 0.000000000000 0.000000000000
0.232819000000 0.000000000000 0.000000000000 0.000000000000
0.401788000000 0.000000000000 0.000000000000 0.000000000000
0.408946000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.168093000000 0.000000000000 0.000000000000 0.000000000000
0.007754000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.568000000000
1.000000000000
Se:aug-cc-pwCVTZ-PP
Peterson's correlation consistent ECP basis set
5
0 1 2 3 4
8 7 6 4 1
13 14 12 4 1
8991.799999999999 1355.200000000000 303.498000000000 44.387000000000 17.158100000000 6.514700000000 3.502620000000 1.615830000000 1.343100000000 0.504621000000 0.240728000000 0.102598000000 0.038400000000
0.000000000000 0.000421000000 0.000000000000 0.000000000000 0.000000000000 -0.000165000000 0.000000000000 0.000000000000
0.000000000000 0.002933000000 0.000000000000 0.000000000000 0.000000000000 -0.001104000000 0.000000000000 0.000000000000
0.000000000000 0.009870000000 0.000000000000 0.000000000000 0.000000000000 -0.004015000000 0.000000000000 0.000000000000
0.000000000000 0.080860000000 0.000000000000 0.000000000000 0.000000000000 -0.027628000000 0.000000000000 0.000000000000
0.000000000000 -0.391490000000 0.000000000000 0.000000000000 0.000000000000 0.141582000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.686327000000 0.000000000000 0.000000000000 0.000000000000 -0.331609000000 0.000000000000 0.000000000000
0.000000000000 0.485582000000 0.000000000000 0.000000000000 0.000000000000 -0.384876000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.032535000000 0.000000000000 1.000000000000 0.000000000000 0.347298000000 0.000000000000 0.000000000000
0.000000000000 -0.007903000000 0.000000000000 0.000000000000 1.000000000000 0.652783000000 0.000000000000 0.000000000000
0.000000000000 0.001868000000 0.000000000000 0.000000000000 0.000000000000 0.244843000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
491.897000000000 89.232800000000 25.506900000000 9.062000000000 6.699920000000 3.187720000000 1.786100000000 1.483850000000 0.636400000000 0.562135000000 0.221055000000 0.097800000000 0.082252000000 0.032700000000
0.000000000000 0.000368000000 0.000000000000 0.000000000000 -0.000115000000 0.000000000000 0.000000000000
0.000000000000 0.004872000000 0.000000000000 0.000000000000 -0.001102000000 0.000000000000 0.000000000000
0.000000000000 -0.088547000000 0.000000000000 0.000000000000 0.023025000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.346637000000 0.000000000000 0.000000000000 -0.104422000000 0.000000000000 0.000000000000
0.000000000000 0.506878000000 0.000000000000 0.000000000000 -0.164098000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.251506000000 0.000000000000 0.000000000000 -0.072409000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.021995000000 0.000000000000 0.000000000000 0.327819000000 0.000000000000 0.000000000000
0.000000000000 -0.001235000000 0.000000000000 0.000000000000 0.561198000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000610000000 0.000000000000 0.000000000000 0.278491000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
301.868000000000 92.125400000000 37.908100000000 16.417100000000 7.414960000000 3.647700000000 3.337380000000 1.579300000000 1.464380000000 0.582516000000 0.216200000000 0.081900000000
0.001637000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.016967000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.074176000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.189483000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.323494000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.371542000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.259778000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.072011000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.356800000000 1.888200000000 0.469600000000 0.184200000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.214500000000
1.000000000000
Se:aug-cc-pwCVQZ-PP
Peterson's correlation consistent ECP basis set
6
0 1 2 3 4 5
10 9 8 6 4 1
18 15 16 6 4 1
73612.100000000006 11056.700000000001 2517.520000000000 711.783000000000 226.628000000000 36.413100000000 22.760100000000 13.306200000000 6.052100000000 4.054500000000 3.784600000000 2.366600000000 2.144980000000 1.121470000000 0.469424000000 0.212697000000 0.093027000000 0.035900000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000031000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000241000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001194000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.004206000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.009278000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.159695000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.284634000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.212574000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.495106000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.554903000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.166604000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006765000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000008000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000194000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
474.007000000000 83.469100000000 39.004500000000 24.385600000000 9.031200000000 7.051330000000 4.166400000000 3.553800000000 1.922100000000 1.763760000000 0.820556000000 0.368106000000 0.158398000000 0.065642000000 0.025300000000
0.000000000000 0.000000000000 0.000394000000 0.000000000000 0.000000000000 -0.000101000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.005860000000 0.000000000000 0.000000000000 -0.001712000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.006976000000 0.000000000000 0.000000000000 0.003142000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.085822000000 0.000000000000 0.000000000000 0.021109000000 0.000000000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.299418000000 0.000000000000 0.000000000000 -0.090793000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.472525000000 0.000000000000 0.000000000000 -0.144938000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.302252000000 0.000000000000 0.000000000000 -0.116272000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.054021000000 0.000000000000 0.000000000000 0.130599000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000416000000 0.000000000000 1.000000000000 0.434615000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.001031000000 0.000000000000 0.000000000000 0.455333000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000098000000 0.000000000000 0.000000000000 0.159382000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1001.070000000000 303.646000000000 119.305000000000 55.113500000000 27.055800000000 13.626400000000 8.049700000000 6.962500000000 3.963900000000 3.538510000000 1.952000000000 1.773210000000 0.853473000000 0.363650000000 0.150600000000 0.059700000000
0.000000000000 0.000000000000 0.000112000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.001174000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.007921000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.036042000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.092911000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.188266000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.281326000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.315995000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.252030000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.115181000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.019133000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
13.163600000000 4.960300000000 1.869100000000 0.710900000000 0.284700000000 0.119300000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.999200000000 2.122400000000 0.581700000000 0.260200000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.293400000000
1.000000000000
Se:aug-cc-pwCV5Z-PP
Peterson's correlation consistent ECP basis set
7
0 1 2 3 4 5 6
12 12 10 8 6 4 1
21 18 18 8 6 4 1
190762.000000000000 28502.400000000001 6487.760000000000 1840.180000000000 601.037000000000 211.485000000000 35.589600000000 23.808600000000 22.244900000000 11.989100000000 11.102900000000 6.037300000000 5.915500000000 3.047990000000 3.040200000000 1.548170000000 0.614793000000 0.362313000000 0.177517000000 0.082226000000 0.033000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000010000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000075000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000385000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001497000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.004447000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.008843000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.171600000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.340518000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.226853000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.216776000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.635632000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.395490000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.040694000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.009402000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002687000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.000355000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1292.490000000000 305.016000000000 71.156300000000 33.559400000000 20.979500000000 13.626200000000 7.940490000000 7.637300000000 4.315010000000 4.280600000000 2.399200000000 2.285770000000 1.186340000000 0.560165000000 0.263905000000 0.121571000000 0.054486000000 0.022700000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000079000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000538000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.008075000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.033414000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.070929000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.214498000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.414617000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.365403000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.131236000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.012050000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000580000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000292000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000025000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1240.430000000000 376.754000000000 148.278000000000 67.934800000000 34.376500000000 17.706600000000 14.302400000000 9.367010000000 8.366200000000 4.978220000000 4.893900000000 2.862700000000 2.631730000000 1.369220000000 0.678817000000 0.291818000000 0.123400000000 0.051000000000
0.000000000000 0.000000000000 0.000000000000 0.000069000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000724000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.004833000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.023900000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.066148000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.140573000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.230245000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.289309000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.281386000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.190995000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.072539000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.009473000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
19.822600000000 9.076800000000 4.156300000000 1.903200000000 0.844100000000 0.423800000000 0.212800000000 0.094700000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.866900000000 5.292600000000 2.177000000000 0.860800000000 0.386400000000 0.178900000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.478500000000 2.443300000000 0.736100000000 0.390600000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.566300000000
1.000000000000
Se:6-311G
Pople's Gaussian basis set
3
0 1 2
8 7 2
15 13 5
405400.000000000000 60850.000000000000 13910.000000000000 3989.000000000000 1324.000000000000 487.000000000000 487.000000000000 193.200000000000 82.190000000000 30.520000000000 13.250000000000 4.510000000000 1.867000000000 0.319000000000 0.112000000000
0.000831000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.006233100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.032071000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.126360000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.388990000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.548880000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.179630000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.622270000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.250670000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2706.000000000000 638.600000000000 203.800000000000 75.960000000000 31.020000000000 13.050000000000 13.050000000000 6.986000000000 3.234000000000 1.475000000000 0.727500000000 0.286900000000 0.096790000000
0.022146000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.181800000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.861550000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.342430000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.505410000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.262370000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.070163000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.384190000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.603680000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
99.010000000000 28.410000000000 9.863000000000 3.514000000000 1.171000000000
0.025596000000 0.000000000000
0.154590000000 0.000000000000
0.428780000000 0.000000000000
0.586200000000 0.000000000000
0.000000000000 1.000000000000
Se:6-311G*
Pople's Gaussian basis set
3
0 1 2
8 7 3
15 13 6
405400.000000000000 60850.000000000000 13910.000000000000 3989.000000000000 1324.000000000000 487.000000000000 487.000000000000 193.200000000000 82.190000000000 30.520000000000 13.250000000000 4.510000000000 1.867000000000 0.319000000000 0.112000000000
0.000831000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.006233100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.032071000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.126360000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.388990000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.548880000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.179630000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.622270000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.250670000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2706.000000000000 638.600000000000 203.800000000000 75.960000000000 31.020000000000 13.050000000000 13.050000000000 6.986000000000 3.234000000000 1.475000000000 0.727500000000 0.286900000000 0.096790000000
0.022146000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.181800000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.861550000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.342430000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.505410000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.262370000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.070163000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.384190000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.603680000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
99.010000000000 28.410000000000 9.863000000000 3.514000000000 1.171000000000 0.305000000000
0.025596000000 0.000000000000 0.000000000000
0.154590000000 0.000000000000 0.000000000000
0.428780000000 0.000000000000 0.000000000000
0.586200000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Se:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 4 3
14 10 6
106612.200270000001 16007.604701000000 3642.169970700000 1028.591299300000 335.302988880000 115.801291540000 222.933250200000 26.726257934000 11.124501923000 19.888520061000 3.366847380300 1.524927783900 0.296300379120 0.110092889740
0.001427488911 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010943525114 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054374171596 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.190180929470 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.389130216960 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.306202070880 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.111988080090 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.647521242070 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.442419766510 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.228572277620 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.735913599510 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.443301995770 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1455.906812000000 343.751018310000 109.295549640000 39.707711022000 14.950185232000 8.020896209400 3.293464975600 1.405860243800 0.450761232260 0.133534133250
0.008820359704 0.000000000000 0.000000000000 0.000000000000
0.066875851967 0.000000000000 0.000000000000 0.000000000000
0.266405780800 0.000000000000 0.000000000000 0.000000000000
0.538349284220 0.000000000000 0.000000000000 0.000000000000
0.363032819930 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.341538070250 0.000000000000 0.000000000000
0.000000000000 0.572579065830 0.000000000000 0.000000000000
0.000000000000 0.255498132220 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
94.494024044000 27.188185260000 9.509156735200 3.417051685300 1.147959008300 0.338000000000
0.023490101098 0.000000000000 0.000000000000
0.137477357670 0.000000000000 0.000000000000
0.366499291240 0.000000000000 0.000000000000
0.487509898840 0.000000000000 0.000000000000
0.000000000000 0.276579433830 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Se:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 4 3
14 10 6
106612.200270000001 16007.604701000000 3642.169970700000 1028.591299300000 335.302988880000 115.801291540000 222.933250200000 26.726257934000 11.124501923000 19.888520061000 3.366847380300 1.524927783900 0.296300379120 0.110092889740
0.001427488911 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010943525114 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054374171596 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.190180929470 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.389130216960 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.306202070880 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.111988080090 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.647521242070 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.442419766510 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.228572277620 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.735913599510 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.443301995770 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1455.906812000000 343.751018310000 109.295549640000 39.707711022000 14.950185232000 8.020896209400 3.293464975600 1.405860243800 0.450761232260 0.133534133250
0.008820359704 0.000000000000 0.000000000000 0.000000000000
0.066875851967 0.000000000000 0.000000000000 0.000000000000
0.266405780800 0.000000000000 0.000000000000 0.000000000000
0.538349284220 0.000000000000 0.000000000000 0.000000000000
0.363032819930 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.341538070250 0.000000000000 0.000000000000
0.000000000000 0.572579065830 0.000000000000 0.000000000000
0.000000000000 0.255498132220 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
94.494024044000 27.188185260000 9.509156735200 3.417051685300 1.147959008300 0.338000000000
0.023490101098 0.000000000000 0.000000000000
0.137477357670 0.000000000000 0.000000000000
0.366499291240 0.000000000000 0.000000000000
0.487509898840 0.000000000000 0.000000000000
0.000000000000 0.276579433830 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Se:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 5 4 1
17 13 8 1
531071.666959999944 79603.044116999998 18115.844239999999 5127.892319400000 1669.913083900000 600.575345270000 233.700212470000 92.672443932000 571.575136750000 177.636863750000 29.517767052000 12.824399795000 19.848235841000 3.474401848600 1.598891084900 0.383334693870 0.140497424590
0.000241089732 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001869643144 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009727161654 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.039604793031 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.129488551360 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.309594372890 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.451157692160 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.245791890330 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.026895707881 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.126709893530 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.576990017190 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.563690754080 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.251324155340 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.729054169800 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2815.350056600000 666.925582980000 214.342131880000 80.246687942000 32.251081288000 13.106432562000 53.366108516000 8.182777719500 3.623994567200 1.634159140100 0.584183202280 0.239662692790 0.088785134803
0.002556902685 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.020874026901 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.098772096250 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.284718212210 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.450035849340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.244160910550 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.021558456273 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.326623106380 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.577404993190 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.343013208260 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
151.829102790000 44.839992523000 16.328999510000 6.430505761200 2.504802516900 0.902711484340 0.476836130000 0.185351600000
0.009397027699 0.000000000000 0.000000000000 0.000000000000
0.064086503991 0.000000000000 0.000000000000 0.000000000000
0.218342380040 0.000000000000 0.000000000000 0.000000000000
0.403147896490 0.000000000000 0.000000000000 0.000000000000
0.419664914900 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.183666634320 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.488669050000
1.000000000000
Se:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 5 4 1
17 13 8 1
531071.666959999944 79603.044116999998 18115.844239999999 5127.892319400000 1669.913083900000 600.575345270000 233.700212470000 92.672443932000 571.575136750000 177.636863750000 29.517767052000 12.824399795000 19.848235841000 3.474401848600 1.598891084900 0.383334693870 0.140497424590
0.000241089732 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001869643144 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009727161654 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.039604793031 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.129488551360 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.309594372890 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.451157692160 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.245791890330 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.026895707881 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.126709893530 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.576990017190 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.563690754080 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.251324155340 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.729054169800 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2815.350056600000 666.925582980000 214.342131880000 80.246687942000 32.251081288000 13.106432562000 53.366108516000 8.182777719500 3.623994567200 1.634159140100 0.584183202280 0.239662692790 0.088785134803
0.002556902685 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.020874026901 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.098772096250 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.284718212210 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.450035849340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.244160910550 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.021558456273 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.326623106380 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.577404993190 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.343013208260 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
151.829102790000 44.839992523000 16.328999510000 6.430505761200 2.504802516900 0.902711484340 0.476836130000 0.185351600000
0.009397027699 0.000000000000 0.000000000000 0.000000000000
0.064086503991 0.000000000000 0.000000000000 0.000000000000
0.218342380040 0.000000000000 0.000000000000 0.000000000000
0.403147896490 0.000000000000 0.000000000000 0.000000000000
0.419664914900 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.183666634320 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.488669050000
1.000000000000
Se:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 7 4 2 1
24 20 10 2 1
9520446.774299999699 1424984.080199999968 324127.576820000017 91774.876950000005 29932.725725000000 10804.617904999999 4214.013477900000 1747.811663300000 762.121608780000 346.456041410000 163.115693040000 2614.515306700000 818.685527560000 318.633989910000 139.048441250000 78.348734788000 31.704290663000 15.505859269000 7.322742362500 3.496948354900 1.612154608500 0.495871585410 0.240921381750 0.102317393970
0.000006330969 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000049267698 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000259202497 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001094314574 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003970613907 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.012801187916 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036980379417 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.094461349896 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.202747054340 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.328789564240 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.323002526090 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.007911392852 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.077187739408 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.356720619490 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.758467500040 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
25360.215615000001 5993.789661000000 1943.074175500000 742.353161560000 314.621145970000 143.347480440000 68.673617552000 34.013554117000 17.198099621000 8.583032962900 236.582091460000 90.576183214000 39.086689301000 9.308434401800 4.616992308400 2.265347750600 1.080000000000 0.479393285810 0.196199838450 0.076256339275
0.000060531791 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000539877744 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003113045617 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.013599674694 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.047298958377 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.129814877260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.265699822150 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.367231953110 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.274783563450 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.079256169683 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.001227164935 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.009258462777 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028428728384 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.212011021920 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.471175898050 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
539.487001240000 162.133944350000 62.661795641000 27.077272889000 12.483003929000 5.886462313600 2.751913110500 1.250076961700 0.511728418430 0.200000000000
0.000667229555 0.000000000000 0.000000000000 0.000000000000
0.006039933093 0.000000000000 0.000000000000 0.000000000000
0.030238666507 0.000000000000 0.000000000000 0.000000000000
0.099267892065 0.000000000000 0.000000000000 0.000000000000
0.223580363100 0.000000000000 0.000000000000 0.000000000000
0.335746827620 0.000000000000 0.000000000000 0.000000000000
0.345548564830 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.212166546220 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.284000000000 0.709700000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.573000000000
1.000000000000
Se:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 7 4 4 1
24 20 10 4 1
9520446.774299999699 1424984.080199999968 324127.576820000017 91774.876950000005 29932.725725000000 10804.617904999999 4214.013477900000 1747.811663300000 762.121608780000 346.456041410000 163.115693040000 2614.515306700000 818.685527560000 318.633989910000 139.048441250000 78.348734788000 31.704290663000 15.505859269000 7.322742362500 3.496948354900 1.612154608500 0.495871585410 0.240921381750 0.102317393970
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0.000000000000 0.077187739408 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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25360.215615000001 5993.789661000000 1943.074175500000 742.353161560000 314.621145970000 143.347480440000 68.673617552000 34.013554117000 17.198099621000 8.583032962900 236.582091460000 90.576183214000 39.086689301000 9.308434401800 4.616992308400 2.265347750600 1.080000000000 0.479393285810 0.196199838450 0.076256339275
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0.000000000000 0.212011021920 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.471175898050 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
539.487001240000 162.133944350000 62.661795641000 27.077272889000 12.483003929000 5.886462313600 2.751913110500 1.250076961700 0.511728418430 0.200000000000
0.000667229555 0.000000000000 0.000000000000 0.000000000000
0.006039933093 0.000000000000 0.000000000000 0.000000000000
0.030238666507 0.000000000000 0.000000000000 0.000000000000
0.099267892065 0.000000000000 0.000000000000 0.000000000000
0.223580363100 0.000000000000 0.000000000000 0.000000000000
0.335746827620 0.000000000000 0.000000000000 0.000000000000
0.345548564830 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.212166546220 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.333391939000 3.518550569000 0.284000000000 0.709700000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.573000000000
1.000000000000
Se:def2-SVPD
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
6 5 4
15 11 7
106612.200270000001 16007.604701000000 3642.169970700000 1028.591299300000 335.302988880000 115.801291540000 222.933250200000 26.726257934000 11.124501923000 19.888520061000 3.366847380300 1.524927783900 0.296300379120 0.110092889740 0.042167294728
0.001427488911 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010943525114 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054374171596 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.190180929470 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.389130216960 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.306202070880 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.111988080090 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.647521242070 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.442419766510 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.228572277620 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.735913599510 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.443301995770 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1455.906812000000 343.751018310000 109.295549640000 39.707711022000 14.950185232000 8.020896209400 3.293464975600 1.405860243800 0.450761232260 0.133534133250 0.034396697938
0.008820359704 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.066875851967 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.266405780800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.538349284220 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.363032819930 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.255498132220 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
94.494024044000 27.188185260000 9.509156735200 3.417051685300 1.147959008300 0.338000000000 0.082767380906
0.023490101098 0.000000000000 0.000000000000 0.000000000000
0.137477357670 0.000000000000 0.000000000000 0.000000000000
0.366499291240 0.000000000000 0.000000000000 0.000000000000
0.487509898840 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.276579433830 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
Se:def2-TZVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
7 6 5 1
18 14 9 1
531071.666959999944 79603.044116999998 18115.844239999999 5127.892319400000 1669.913083900000 600.575345270000 233.700212470000 92.672443932000 571.575136750000 177.636863750000 29.517767052000 12.824399795000 19.848235841000 3.474401848600 1.598891084900 0.383334693870 0.140497424590 0.045053485505
0.000241089732 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001869643144 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009727161654 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.039604793031 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.129488551360 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.309594372890 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.451157692160 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.245791890330 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.026895707881 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.126709893530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.576990017190 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.563690754080 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.251324155340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.729054169800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
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2815.350056600000 666.925582980000 214.342131880000 80.246687942000 32.251081288000 13.106432562000 53.366108516000 8.182777719500 3.623994567200 1.634159140100 0.584183202280 0.239662692790 0.088785134803 0.026632920997
0.002556902685 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.020874026901 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.284718212210 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.450035849340 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.244160910550 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.021558456273 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.326623106380 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.577404993190 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.343013208260 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
151.829102790000 44.839992523000 16.328999510000 6.430505761200 2.504802516900 0.902711484340 0.476836130000 0.185351600000 0.064254758023
0.009397027699 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.064086503991 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.218342380040 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.403147896490 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.419664914900 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.183666634320 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.488669050000
1.000000000000
Se:def2-TZVPPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
7 6 5 1
18 14 9 1
531071.666959999944 79603.044116999998 18115.844239999999 5127.892319400000 1669.913083900000 600.575345270000 233.700212470000 92.672443932000 571.575136750000 177.636863750000 29.517767052000 12.824399795000 19.848235841000 3.474401848600 1.598891084900 0.383334693870 0.140497424590 0.045053485505
0.000241089732 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001869643144 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009727161654 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.039604793031 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.129488551360 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.309594372890 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.451157692160 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.245791890330 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.026895707881 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.126709893530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.576990017190 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.563690754080 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.251324155340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.729054169800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2815.350056600000 666.925582980000 214.342131880000 80.246687942000 32.251081288000 13.106432562000 53.366108516000 8.182777719500 3.623994567200 1.634159140100 0.584183202280 0.239662692790 0.088785134803 0.026632920997
0.002556902685 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.020874026901 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.098772096250 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.284718212210 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.450035849340 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.244160910550 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.021558456273 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.326623106380 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.577404993190 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.343013208260 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
151.829102790000 44.839992523000 16.328999510000 6.430505761200 2.504802516900 0.902711484340 0.476836130000 0.185351600000 0.064254758023
0.009397027699 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.064086503991 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.218342380040 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.403147896490 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.419664914900 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.183666634320 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.488669050000
1.000000000000
Se:def2-QZVPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
12 8 5 2 1
25 21 11 2 1
9520446.774299999699 1424984.080199999968 324127.576820000017 91774.876950000005 29932.725725000000 10804.617904999999 4214.013477900000 1747.811663300000 762.121608780000 346.456041410000 163.115693040000 2614.515306700000 818.685527560000 318.633989910000 139.048441250000 78.348734788000 31.704290663000 15.505859269000 7.322742362500 3.496948354900 1.612154608500 0.495871585410 0.240921381750 0.102317393970 0.040316301954
0.000006330969 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000049267698 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000259202497 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001094314574 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003970613907 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.012801187916 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036980379417 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.094461349896 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.202747054340 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.328789564240 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
25360.215615000001 5993.789661000000 1943.074175500000 742.353161560000 314.621145970000 143.347480440000 68.673617552000 34.013554117000 17.198099621000 8.583032962900 236.582091460000 90.576183214000 39.086689301000 9.308434401800 4.616992308400 2.265347750600 1.080000000000 0.479393285810 0.196199838450 0.076256339275 0.025031496127
0.000060531791 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000539877744 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003113045617 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.013599674694 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.047298958377 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.129814877260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.265699822150 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.367231953110 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.274783563450 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.079256169683 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.001227164935 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.009258462777 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028428728384 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.212011021920 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.471175898050 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
539.487001240000 162.133944350000 62.661795641000 27.077272889000 12.483003929000 5.886462313600 2.751913110500 1.250076961700 0.511728418430 0.200000000000 0.065822945067
0.000667229555 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.006039933093 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.030238666507 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.099267892065 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.223580363100 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.335746827620 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.345548564830 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.212166546220 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.284000000000 0.709700000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.573000000000
1.000000000000
Se:def2-QZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
12 8 5 4 1
25 21 11 4 1
9520446.774299999699 1424984.080199999968 324127.576820000017 91774.876950000005 29932.725725000000 10804.617904999999 4214.013477900000 1747.811663300000 762.121608780000 346.456041410000 163.115693040000 2614.515306700000 818.685527560000 318.633989910000 139.048441250000 78.348734788000 31.704290663000 15.505859269000 7.322742362500 3.496948354900 1.612154608500 0.495871585410 0.240921381750 0.102317393970 0.040316301954
0.000006330969 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000049267698 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000259202497 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001094314574 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003970613907 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.012801187916 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036980379417 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.094461349896 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.202747054340 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.328789564240 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.323002526090 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.007911392852 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.077187739408 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.356720619490 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.758467500040 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
25360.215615000001 5993.789661000000 1943.074175500000 742.353161560000 314.621145970000 143.347480440000 68.673617552000 34.013554117000 17.198099621000 8.583032962900 236.582091460000 90.576183214000 39.086689301000 9.308434401800 4.616992308400 2.265347750600 1.080000000000 0.479393285810 0.196199838450 0.076256339275 0.025031496127
0.000060531791 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000539877744 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003113045617 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.013599674694 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.047298958377 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.129814877260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.265699822150 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.367231953110 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.274783563450 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.079256169683 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.001227164935 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.009258462777 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028428728384 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.212011021920 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.471175898050 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
539.487001240000 162.133944350000 62.661795641000 27.077272889000 12.483003929000 5.886462313600 2.751913110500 1.250076961700 0.511728418430 0.200000000000 0.065822945067
0.000667229555 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.006039933093 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.030238666507 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.099267892065 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.223580363100 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.335746827620 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.345548564830 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.212166546220 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.333391939000 3.518550569000 0.284000000000 0.709700000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.573000000000
1.000000000000
Se:LANL2DZ
Hay and Wadt's LANL2DZ Gaussian basis set
2
0 1
2 2
3 3
1.033000000000 0.652100000000 0.166000000000
-3.322409500000 0.000000000000
3.600346200000 0.000000000000
0.000000000000 1.000000000000
2.366000000000 0.383300000000 0.118600000000
-0.118552200000 0.000000000000
1.041432000000 0.000000000000
0.000000000000 1.000000000000
Se:cc-pVDZ-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
9 8 7 4 2
9 8 7 4 2
273.443136900000 40.292837847000 20.853102850000 13.902068566000 2.877518747600 1.749673071300 1.153469195200 0.362712633840 0.241808422560
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
69.058154609000 21.219802255000 7.819680334500 2.398247784900 1.367327332900 0.664609038890 0.302190672700 0.165768399750
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
118.991063000000 53.976418814000 8.553229712900 2.736485160600 1.298293230900 0.643140897880 0.265015982130
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
103.042469030000 11.151380461000 2.078323461500 0.622080181420
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
15.038285259000 1.385854330400
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Se:cc-pVTZ-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
10 9 8 6 4 1
10 9 8 6 4 1
82.506800150000 36.738108911000 15.868872439000 6.026078809100 4.038861531400 2.097231943700 0.782607622100 0.520926398140 0.332868747080 0.153599968520
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
52.732965275000 33.085236747000 7.484577973200 4.144801077400 1.794639279900 1.064663703400 0.549532390010 0.297104990410 0.198069993600
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
130.140606020000 40.895067483000 9.968971155800 3.300987166600 1.914095210400 0.855309490130 0.461584244210 0.200123591840
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
99.315423600000 11.958103341000 2.929934477500 1.757961280300 0.814174166030 0.395151095160
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
31.702524222000 10.939142222000 2.119713759900 0.720066147340
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.926791264900
1.000000000000
Se:cc-pVQZ-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
11 10 9 7 5 3 1
11 10 9 7 5 3 1
82.910032689000 25.555590407000 17.037060271000 11.391107768000 3.405912743100 1.620811293800 0.997077902560 0.520263356010 0.294259809910 0.126484375780 0.082509303300
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
50.593268936000 33.728845957000 7.613428741800 4.044326010900 2.486740616300 1.104201508500 0.736134339380 0.464434960130 0.218092844840 0.106597366480
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
140.197155530000 35.677108560000 11.034727449000 4.552687583700 2.754021551300 1.149973565500 0.721146778700 0.345666384490 0.171048634920
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
100.578183600000 11.837559416000 3.502600830000 2.335067220000 0.981193047960 0.620085702410 0.287597902630
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
28.674346398000 10.334301639000 2.729018368500 0.981083116230 0.487311604270
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.702927979300 1.973093099100 0.811765869370
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.903703397200
1.000000000000
Se:aug-cc-pVDZ-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
10 9 8 5 2
10 9 8 5 2
273.443136900000 40.292837847000 20.853102850000 13.902068566000 2.877518747600 1.749673071300 1.153469195200 0.362712633840 0.241808422560 0.063758414800
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
69.058154609000 21.219802255000 7.819680334500 2.398247784900 1.367327332900 0.664609038890 0.302190672700 0.165768399750 0.081948012300
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
118.991063000000 53.976418814000 8.553229712900 2.736485160600 1.298293230900 0.643140897880 0.265015982130 0.092971654400
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
103.042469030000 11.151380461000 2.078323461500 0.622080181420 0.237571674960
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
15.038285259000 1.385854330400
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Se:aug-cc-pVTZ-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
11 10 9 7 5 1
11 10 9 7 5 1
82.506800150000 36.738108911000 15.868872439000 6.026078809100 4.038861531400 2.097231943700 0.782607622100 0.520926398140 0.332868747080 0.153599968520 0.059231987200
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
52.732965275000 33.085236747000 7.484577973200 4.144801077400 1.794639279900 1.064663703400 0.549532390010 0.297104990410 0.198069993600 0.094953496100
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
130.140606020000 40.895067483000 9.968971155800 3.300987166600 1.914095210400 0.855309490130 0.461584244210 0.200123591840 0.084832618300
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
99.315423600000 11.958103341000 2.929934477500 1.757961280300 0.814174166030 0.395151095160 0.161718620630
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
31.702524222000 10.939142222000 2.119713759900 0.720066147340 0.313248981230
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.926791264900
1.000000000000
Se:aug-cc-pVQZ-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
12 11 10 8 6 4 1
12 11 10 8 6 4 1
82.910032689000 25.555590407000 17.037060271000 11.391107768000 3.405912743100 1.620811293800 0.997077902560 0.520263356010 0.294259809910 0.126484375780 0.082509303300 0.041028321600
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
50.593268936000 33.728845957000 7.613428741800 4.044326010900 2.486740616300 1.104201508500 0.736134339380 0.464434960130 0.218092844840 0.106597366480 0.052101660000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
140.197155530000 35.677108560000 11.034727449000 4.552687583700 2.754021551300 1.149973565500 0.721146778700 0.345666384490 0.171048634920 0.067418512700
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
100.578183600000 11.837559416000 3.502600830000 2.335067220000 0.981193047960 0.620085702410 0.287597902630 0.123118371390
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
28.674346398000 10.334301639000 2.729018368500 0.981083116230 0.487311604270 0.216932523030
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.702927979300 1.973093099100 0.811765869370 0.387937768520
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.903703397200
1.000000000000
Se:cc-pVDZ-PP-RI
Hattig's auxiliary basis set
5
0 1 2 3 4
8 7 6 3 2
8 7 6 3 2
23.401200000000 15.283800000000 8.138500000000 2.836220000000 1.250790000000 0.699253000000 0.319694000000 0.210576000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
29.286600000000 16.843900000000 7.922570000000 3.140060000000 1.256270000000 0.549003000000 0.306564000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
34.118600000000 8.801240000000 3.292780000000 1.449890000000 0.639818000000 0.248113000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.216400000000 1.975960000000 0.620489000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
15.467700000000 1.345600000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Se:cc-pVTZ-PP-RI
Hattig's auxiliary basis set
6
0 1 2 3 4 5
8 8 7 5 4 1
8 8 7 5 4 1
31.350700000000 16.349000000000 7.153950000000 2.308070000000 1.216690000000 0.692818000000 0.389906000000 0.166160000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
33.692000000000 19.606300000000 8.476610000000 2.498790000000 1.390100000000 0.675979000000 0.420992000000 0.226240000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
32.333600000000 9.747420000000 3.244060000000 1.627040000000 0.853156000000 0.451974000000 0.214795000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
13.573000000000 5.370670000000 2.369490000000 0.842910000000 0.397723000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
31.603800000000 10.837000000000 2.089070000000 0.728385000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.934600000000
1.000000000000
Se:cc-pVQZ-PP-RI
Hattig's auxiliary basis set
7
0 1 2 3 4 5 6
10 10 9 8 6 3 1
10 10 9 8 6 3 1
28.448400000000 14.626600000000 8.668670000000 3.415230000000 1.653870000000 0.992134000000 0.649881000000 0.386593000000 0.229795000000 0.118169000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
26.787800000000 21.280000000000 10.769700000000 4.579160000000 2.525270000000 1.192370000000 0.757490000000 0.458079000000 0.243481000000 0.131430000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
32.290600000000 12.137700000000 5.609740000000 3.059100000000 1.294030000000 0.788506000000 0.493793000000 0.313577000000 0.148452000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
29.425600000000 12.406000000000 5.516990000000 2.898590000000 1.594070000000 0.901981000000 0.532995000000 0.275112000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
38.062000000000 12.988700000000 3.713800000000 2.212770000000 0.949843000000 0.467304000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.503430000000 2.145370000000 0.828101000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.908720000000
1.000000000000
Se:cc-pV5Z-PP-RI
Hattig's auxiliary basis set
8
0 1 2 3 4 5 6 7
13 12 11 9 8 5 3 1
13 12 11 9 8 5 3 1
71.092900000000 48.623400000000 28.912000000000 15.421800000000 10.417300000000 5.404260000000 2.989080000000 1.759190000000 1.029760000000 0.590494000000 0.351545000000 0.197496000000 0.113101000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
55.123400000000 26.464400000000 15.062000000000 8.852230000000 4.801050000000 2.952020000000 1.703350000000 0.975178000000 0.622010000000 0.386371000000 0.215628000000 0.129834000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
44.159700000000 23.737500000000 13.664100000000 6.673310000000 3.607370000000 1.927800000000 1.185190000000 0.759818000000 0.488330000000 0.262567000000 0.127358000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
35.886600000000 15.975400000000 7.160920000000 3.934470000000 1.954710000000 1.059060000000 0.721472000000 0.430107000000 0.230787000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
48.244400000000 17.941300000000 7.840770000000 3.719810000000 1.959430000000 1.046380000000 0.655541000000 0.338705000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.548610000000 3.662140000000 1.921310000000 1.082440000000 0.569148000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.852670000000 1.791940000000 0.962127000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.005380000000
1.000000000000
Se:aug-cc-pVDZ-PP-RI
Hattig's auxiliary basis set
5
0 1 2 3 4
9 8 7 4 3
9 8 7 4 3
23.401200000000 15.283800000000 8.138500000000 2.836220000000 1.250790000000 0.699253000000 0.319694000000 0.210576000000 0.058266100000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
29.286600000000 16.843900000000 7.922570000000 3.140060000000 1.256270000000 0.549003000000 0.306564000000 0.129967000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
34.118600000000 8.801240000000 3.292780000000 1.449890000000 0.639818000000 0.248113000000 0.089376000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.216400000000 1.975960000000 0.620489000000 0.232796000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
15.467700000000 1.345600000000 0.871030000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Se:aug-cc-pVTZ-PP-RI
Hattig's auxiliary basis set
6
0 1 2 3 4 5
9 9 8 6 5 2
9 9 8 6 5 2
31.350700000000 16.349000000000 7.153950000000 2.308070000000 1.216690000000 0.692818000000 0.389906000000 0.166160000000 0.059197300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
33.692000000000 19.606300000000 8.476610000000 2.498790000000 1.390100000000 0.675979000000 0.420992000000 0.226240000000 0.101192000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
32.333600000000 9.747420000000 3.244060000000 1.627040000000 0.853156000000 0.451974000000 0.214795000000 0.081167300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
13.573000000000 5.370670000000 2.369490000000 0.842910000000 0.397723000000 0.161771000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
31.603800000000 10.837000000000 2.089070000000 0.728385000000 0.308049000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.934600000000 0.606832000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Se:aug-cc-pVQZ-PP-RI
Hattig's auxiliary basis set
7
0 1 2 3 4 5 6
11 11 10 9 7 4 2
11 11 10 9 7 4 2
28.448400000000 14.626600000000 8.668670000000 3.415230000000 1.653870000000 0.992134000000 0.649881000000 0.386593000000 0.229795000000 0.118169000000 0.048017200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
26.787800000000 21.280000000000 10.769700000000 4.579160000000 2.525270000000 1.192370000000 0.757490000000 0.458079000000 0.243481000000 0.131430000000 0.077671800000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
32.290600000000 12.137700000000 5.609740000000 3.059100000000 1.294030000000 0.788506000000 0.493793000000 0.313577000000 0.148452000000 0.060325400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
29.425600000000 12.406000000000 5.516990000000 2.898590000000 1.594070000000 0.901981000000 0.532995000000 0.275112000000 0.116830000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
38.062000000000 12.988700000000 3.713800000000 2.212770000000 0.949843000000 0.467304000000 0.206133000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.503430000000 2.145370000000 0.828101000000 0.390434000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.908720000000 0.784706000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Se:aug-cc-pV5Z-PP-RI
Hattig's auxiliary basis set
8
0 1 2 3 4 5 6 7
14 13 12 10 9 6 4 2
14 13 12 10 9 6 4 2
71.092900000000 48.623400000000 28.912000000000 15.421800000000 10.417300000000 5.404260000000 2.989080000000 1.759190000000 1.029760000000 0.590494000000 0.351545000000 0.197496000000 0.113101000000 0.039164700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
55.123400000000 26.464400000000 15.062000000000 8.852230000000 4.801050000000 2.952020000000 1.703350000000 0.975178000000 0.622010000000 0.386371000000 0.215628000000 0.129834000000 0.069091100000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
44.159700000000 23.737500000000 13.664100000000 6.673310000000 3.607370000000 1.927800000000 1.185190000000 0.759818000000 0.488330000000 0.262567000000 0.127358000000 0.054165500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
35.886600000000 15.975400000000 7.160920000000 3.934470000000 1.954710000000 1.059060000000 0.721472000000 0.430107000000 0.230787000000 0.099353700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
48.244400000000 17.941300000000 7.840770000000 3.719810000000 1.959430000000 1.046380000000 0.655541000000 0.338705000000 0.164848000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.548610000000 3.662140000000 1.921310000000 1.082440000000 0.569148000000 0.275989000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.852670000000 1.791940000000 0.962127000000 0.500637000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.005380000000 1.182850000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Se:aug-cc-pwCVDZ-RI
Hattig's auxiliary basis set
6
0 1 2 3 4 5
14 13 12 8 5 3
14 13 12 8 5 3
273.443136900000 40.292837847000 20.853102849523 13.902068566340 2.877518747600 1.749673071300 1.153469195200 0.362712633843 0.241808422562 1180.230000000000 547.724000000000 108.826000000000 6.456350000000 0.063758414781
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
69.058154609000 21.219802255000 7.819680334500 2.398247784900 1.367327332900 0.664609038890 0.302190672700 0.165768399750 563.809000000000 186.611000000000 45.096600000000 4.637120000000 0.081948012276
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
118.991063000000 53.976418814000 8.553229712900 2.736485160600 1.298293230900 0.643140897880 0.265015982130 280.163000000000 74.488200000000 19.578100000000 4.061300000000 0.092971654373
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
294.849000000000 103.042000000000 24.941100000000 11.151400000000 3.866520000000 1.782020000000 0.622080000000 0.237571674960
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
41.685400000000 14.831200000000 5.584330000000 2.842210000000 1.266460000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
19.600900000000 8.560340000000 4.329930000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Se:aug-cc-pwCVTZ-RI
Hattig's auxiliary basis set
7
0 1 2 3 4 5 6
17 15 14 11 9 5 2
17 15 14 11 9 5 2
82.506800150000 36.738108911000 15.868872439000 6.026078809100 4.038861531400 2.097231943700 0.782607622100 0.520926398140 0.332868747080 0.153599968520 3461.880000000000 547.439000000000 140.272000000000 24.275600000000 10.000100000000 3.063950000000 0.059231987243
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
52.732965275000 33.085236747000 7.484577973200 0.549532390010 0.297104990410 0.198069993600 1274.250000000000 284.362000000000 112.065000000000 14.157100000000 5.784420000000 3.728020000000 2.015710000000 0.984346000000 0.094953496087
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
130.140606020000 40.895067483000 9.968971155800 3.300987166600 1.914095210400 0.855309490130 0.461584244210 0.200123591840 334.708000000000 71.782900000000 15.511600000000 6.048180000000 1.355980000000 0.084832618318
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
181.371000000000 99.315400000000 49.585700000000 17.972200000000 11.958100000000 6.485490000000 3.436640000000 2.076180000000 0.814174000000 0.395151000000 0.161718620630
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
68.116400000000 31.702500000000 17.333300000000 10.939100000000 5.858610000000 3.166000000000 2.119710000000 0.720066000000 0.313248981230
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
22.496100000000 10.960000000000 4.756180000000 2.621340000000 1.254430000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.062570000000 3.864790000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Se:aug-cc-pwCVQZ-RI
Hattig's auxiliary basis set
8
0 1 2 3 4 5 6 7
17 17 16 13 10 7 4 2
17 17 16 13 10 7 4 2
0.520263356010 0.294259809910 0.126484375780 0.082509303277 3719.340000000000 1047.010000000000 258.936000000000 147.007000000000 68.545600000000 26.639800000000 13.983400000000 9.678020000000 6.084350000000 3.059840000000 1.925420000000 1.101980000000 0.041028321606
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
50.593268936000 33.728845957000 4.044326010900 2.486740616300 1.104201508500 0.736134339380 0.464434960130 0.218092844840 0.106597366480 1455.190000000000 338.872000000000 182.040000000000 85.650000000000 15.692200000000 10.082000000000 5.948340000000 0.052101660000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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7.451150000000 3.795840000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Se:aug-cc-pwCV5Z-RI
Hattig's auxiliary basis set
8
0 1 2 3 4 5 6 7
21 20 18 17 14 11 7 7
21 20 18 17 14 11 7 7
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223.415000000000 63.140100000000 36.467200000000 14.900900000000 7.546520000000 4.735080000000 2.035210000000 1.265890000000 0.845564000000 0.528424000000 0.273095000000 0.133974000000 693.362000000000 146.823000000000 23.833100000000 10.537200000000 3.384180000000 0.054165500000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
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118.345000000000 42.996000000000 17.668500000000 8.000820000000 4.647540000000 2.071390000000 1.090680000000 0.686142000000 0.445382000000 0.239604000000 358.564000000000 189.035000000000 67.938000000000 25.395500000000 10.570200000000 3.101250000000 0.099353700000
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0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
56.625200000000 20.571300000000 9.091920000000 1.893860000000 1.072600000000 0.645109000000 0.338990000000 148.719000000000 85.282100000000 33.491200000000 13.116000000000 5.018930000000 2.680270000000 0.164848000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
48.973000000000 26.907200000000 15.137400000000 8.555610000000 5.308820000000 3.187440000000 1.740090000000 1.239830000000 0.850560000000 0.524137000000 0.275989000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
27.762100000000 15.481400000000 8.147070000000 3.948850000000 2.626980000000 0.980502000000 0.500637000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
35.228200000000 15.637200000000 4.813570000000 2.572970000000 7.580310000000 4.055860000000 1.182850000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
Se:aug-cc-pwCVDZ-PP-RI
Hattig's auxiliary basis set
6
0 1 2 3 4 5
10 10 9 6 6 2
10 10 9 6 6 2
23.401200000000 15.283800000000 8.138500000000 2.836220000000 1.250790000000 0.699253000000 0.319694000000 0.210576000000 4.804430000000 0.058266100000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
29.286600000000 16.843900000000 7.922570000000 3.140060000000 1.256270000000 0.549003000000 0.306564000000 4.987720000000 0.830479000000 0.129967000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
34.118600000000 8.801240000000 3.292780000000 1.449890000000 0.639818000000 0.248113000000 17.328800000000 0.963154000000 0.089376000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.468900000000 5.579200000000 2.904850000000 1.794230000000 0.586751000000 0.232796000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
41.026000000000 15.143800000000 6.387750000000 3.002190000000 1.289810000000 0.871030000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.761000000000 4.707920000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Se:aug-cc-pwCVTZ-PP-RI
Hattig's auxiliary basis set
7
0 1 2 3 4 5 6
11 11 10 9 8 5 2
11 11 10 9 8 5 2
31.350700000000 16.349000000000 7.153950000000 2.308070000000 1.216690000000 0.692818000000 0.389906000000 0.166160000000 10.814800000000 4.063470000000 0.059197300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
33.692000000000 19.606300000000 8.476610000000 2.498790000000 1.390100000000 0.675979000000 0.420992000000 0.226240000000 12.891700000000 4.602310000000 0.101192000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
32.333600000000 9.747420000000 3.244060000000 1.627040000000 0.853156000000 0.451974000000 0.214795000000 17.753000000000 5.623270000000 0.081167300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.842910000000 0.397723000000 49.819000000000 19.013500000000 10.194700000000 5.804790000000 3.233850000000 1.757920000000 0.161771000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.837000000000 2.089070000000 0.728385000000 57.991700000000 23.334400000000 6.260230000000 3.616360000000 0.308049000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.934600000000 16.688100000000 8.514470000000 3.891740000000 0.606832000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.497290000000 3.994430000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Se:aug-cc-pwCVQZ-PP-RI
Hattig's auxiliary basis set
8
0 1 2 3 4 5 6 7
14 14 13 12 10 7 5 2
14 14 13 12 10 7 5 2
28.448400000000 14.626600000000 8.668670000000 3.415230000000 1.653870000000 0.992134000000 0.649881000000 0.386593000000 0.229795000000 0.118169000000 56.161800000000 20.398600000000 5.441090000000 0.048017200000
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8.474500000000 3.989420000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Se:aug-cc-pwCV5Z-PP-RI
Hattig's auxiliary basis set
8
0 1 2 3 4 5 6 7
16 16 15 13 13 9 7 6
16 16 15 13 13 9 7 6
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
48.244400000000 17.941300000000 7.840770000000 3.719810000000 1.959430000000 1.046380000000 0.655541000000 0.338705000000 84.774700000000 29.420500000000 11.860600000000 5.400570000000 0.164848000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.662140000000 1.921310000000 1.082440000000 0.569148000000 34.438100000000 16.192100000000 9.500030000000 5.642490000000 0.275989000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.852670000000 1.791940000000 0.962127000000 22.293900000000 13.038500000000 6.791590000000 0.500637000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.005380000000 18.089900000000 6.100190000000 3.360200000000 4.792610000000 1.182850000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
Se:def2-SV(P)-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
10 9 7 4 3
10 9 8 6 4
88.953661000000 39.136170000000 16.880571000000 6.762032000000 4.797700100000 2.077977300000 0.572587050000 0.368617890000 0.198145740000 0.104490390000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
52.366789000000 31.909202000000 8.436091900000 3.832639600000 1.705130800000 1.002555200000 0.522960610000 0.271607050000 0.095958070000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
111.378790000000 41.342889000000 10.087019000000 3.469868700000 1.339631800000 0.761541420000 0.492940050000 0.205873380000
-0.113787850000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.502256210000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
98.678637000000 12.082610000000 2.732671600000 1.492646100000 0.711060200000 0.330154670000
-0.406339060000 0.000000000000 0.000000000000 0.000000000000
1.004549500000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.511084620000
0.000000000000 0.000000000000 0.000000000000 0.236147180000
24.835528000000 8.052768100000 2.959814900000 0.762836550000
1.323442750000 0.000000000000 0.000000000000
0.508934000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Se:def2-SVP-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
10 9 7 4 3
10 9 8 6 4
88.953661000000 39.136170000000 16.880571000000 6.762032000000 4.797700100000 2.077977300000 0.572587050000 0.368617890000 0.198145740000 0.104490390000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
52.366789000000 31.909202000000 8.436091900000 3.832639600000 1.705130800000 1.002555200000 0.522960610000 0.271607050000 0.095958070000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
111.378790000000 41.342889000000 10.087019000000 3.469868700000 1.339631800000 0.761541420000 0.492940050000 0.205873380000
-0.113787850000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.502256210000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
98.678637000000 12.082610000000 2.732671600000 1.492646100000 0.711060200000 0.330154670000
-0.406339060000 0.000000000000 0.000000000000 0.000000000000
1.004549500000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.511084620000
0.000000000000 0.000000000000 0.000000000000 0.236147180000
24.835528000000 8.052768100000 2.959814900000 0.762836550000
1.323442750000 0.000000000000 0.000000000000
0.508934000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Se:def2-TZVP-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
10 9 8 5 4 1
10 9 8 6 4 1
88.953661000000 39.136170000000 16.880571000000 6.762032000000 4.797700100000 2.077977300000 0.572587050000 0.368617890000 0.198145740000 0.104490390000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
52.366789000000 31.909202000000 8.436091900000 3.832639600000 1.705130800000 1.002555200000 0.522960610000 0.271607050000 0.095958070000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
111.378790000000 41.342889000000 10.087019000000 3.469868700000 1.339631800000 0.761541420000 0.492940050000 0.205873380000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
98.678637000000 12.082610000000 2.732671600000 1.492646100000 0.711060200000 0.330154670000
-0.406339060000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.004549500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
24.835528000000 8.052768100000 2.959814900000 0.762836550000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.993703800000
1.000000000000
Se:def2-TZVPP-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
10 9 8 5 4 1
10 9 8 6 4 1
88.953661000000 39.136170000000 16.880571000000 6.762032000000 4.797700100000 2.077977300000 0.572587050000 0.368617890000 0.198145740000 0.104490390000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
52.366789000000 31.909202000000 8.436091900000 3.832639600000 1.705130800000 1.002555200000 0.522960610000 0.271607050000 0.095958070000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
111.378790000000 41.342889000000 10.087019000000 3.469868700000 1.339631800000 0.761541420000 0.492940050000 0.205873380000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
98.678637000000 12.082610000000 2.732671600000 1.492646100000 0.711060200000 0.330154670000
-0.406339060000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.004549500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
24.835528000000 8.052768100000 2.959814900000 0.762836550000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.993703800000
1.000000000000
Se:def2-QZVP-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
13 12 11 9 7 5 1
13 12 11 9 7 5 1
3878.490000000000 104.612000000000 59.290700000000 35.944600000000 22.066600000000 14.802000000000 10.894300000000 4.542540000000 1.762100000000 1.027010000000 0.696493000000 0.276625000000 0.143368000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
344.352000000000 196.663000000000 84.172300000000 31.191000000000 23.139300000000 10.959100000000 4.780150000000 3.549720000000 1.193090000000 0.756844000000 0.436662000000 0.239599000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
365.020000000000 109.627000000000 52.030100000000 23.568400000000 12.967700000000 5.580230000000 3.672480000000 1.388970000000 0.802996000000 0.375808000000 0.172403000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
93.572100000000 28.591300000000 14.593100000000 6.235620000000 3.853490000000 1.857900000000 0.972011000000 0.606159000000 0.334649000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
43.736400000000 15.917800000000 6.882080000000 3.291600000000 1.684310000000 0.919601000000 0.455530000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
26.526700000000 14.938000000000 6.458910000000 2.225310000000 0.821027000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.897650000000
1.000000000000
Se:def2-QZVPP-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
13 12 11 9 7 5 1
13 12 11 9 7 5 1
3878.490000000000 104.612000000000 59.290700000000 35.944600000000 22.066600000000 14.802000000000 10.894300000000 4.542540000000 1.762100000000 1.027010000000 0.696493000000 0.276625000000 0.143368000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
344.352000000000 196.663000000000 84.172300000000 31.191000000000 23.139300000000 10.959100000000 4.780150000000 3.549720000000 1.193090000000 0.756844000000 0.436662000000 0.239599000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
365.020000000000 109.627000000000 52.030100000000 23.568400000000 12.967700000000 5.580230000000 3.672480000000 1.388970000000 0.802996000000 0.375808000000 0.172403000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
93.572100000000 28.591300000000 14.593100000000 6.235620000000 3.853490000000 1.857900000000 0.972011000000 0.606159000000 0.334649000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
43.736400000000 15.917800000000 6.882080000000 3.291600000000 1.684310000000 0.919601000000 0.455530000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
26.526700000000 14.938000000000 6.458910000000 2.225310000000 0.821027000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.897650000000
1.000000000000
Se:def2-SVPD-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
11 10 8 5 3
11 10 9 7 4
88.953661000000 39.136170000000 16.880571000000 6.762032000000 4.797700100000 2.077977300000 0.572587050000 0.368617890000 0.198145740000 0.104490390000 0.046906800000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
52.366789000000 31.909202000000 8.436091900000 3.832639600000 1.705130800000 1.002555200000 0.522960610000 0.271607050000 0.095958070000 0.041108400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
111.378790000000 41.342889000000 10.087019000000 3.469868700000 1.339631800000 0.761541420000 0.492940050000 0.205873380000 0.090938500000
-0.113787850000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.502256210000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
98.678637000000 12.082610000000 2.732671600000 1.492646100000 0.711060200000 0.330154670000 0.181298000000
-0.406339060000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.004549500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.511084620000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.236147180000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
24.835528000000 8.052768100000 2.959814900000 0.762836550000
1.323442750000 0.000000000000 0.000000000000
0.508934000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Se:def2-TZVPD-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
11 10 9 6 4 1
11 10 9 7 4 1
88.953661000000 39.136170000000 16.880571000000 6.762032000000 4.797700100000 2.077977300000 0.572587050000 0.368617890000 0.198145740000 0.104490390000 0.049192800000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
52.366789000000 31.909202000000 8.436091900000 3.832639600000 1.705130800000 1.002555200000 0.522960610000 0.271607050000 0.095958070000 0.041126900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
111.378790000000 41.342889000000 10.087019000000 3.469868700000 1.339631800000 0.761541420000 0.492940050000 0.205873380000 0.078726500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
98.678637000000 12.082610000000 2.732671600000 1.492646100000 0.711060200000 0.330154670000 0.129564000000
-0.406339060000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.004549500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
24.835528000000 8.052768100000 2.959814900000 0.762836550000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.993703800000
1.000000000000
Se:def2-TZVPPD-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
11 10 9 6 4 1
11 10 9 7 4 1
88.953661000000 39.136170000000 16.880571000000 6.762032000000 4.797700100000 2.077977300000 0.572587050000 0.368617890000 0.198145740000 0.104490390000 0.049192800000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
52.366789000000 31.909202000000 8.436091900000 3.832639600000 1.705130800000 1.002555200000 0.522960610000 0.271607050000 0.095958070000 0.041126900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
111.378790000000 41.342889000000 10.087019000000 3.469868700000 1.339631800000 0.761541420000 0.492940050000 0.205873380000 0.078726500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
98.678637000000 12.082610000000 2.732671600000 1.492646100000 0.711060200000 0.330154670000 0.129564000000
-0.406339060000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.004549500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
24.835528000000 8.052768100000 2.959814900000 0.762836550000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.993703800000
1.000000000000
Se:def2-QZVPPD-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
14 13 12 10 7 5 1
14 13 12 10 7 5 1
3878.490000000000 104.612000000000 59.290700000000 35.944600000000 22.066600000000 14.802000000000 10.894300000000 4.542540000000 1.762100000000 1.027010000000 0.696493000000 0.276625000000 0.143368000000 0.048413500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
344.352000000000 196.663000000000 84.172300000000 31.191000000000 23.139300000000 10.959100000000 4.780150000000 3.549720000000 1.193090000000 0.756844000000 0.436662000000 0.239599000000 0.097206500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
365.020000000000 109.627000000000 52.030100000000 23.568400000000 12.967700000000 5.580230000000 3.672480000000 1.388970000000 0.802996000000 0.375808000000 0.172403000000 0.068370300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
93.572100000000 28.591300000000 14.593100000000 6.235620000000 3.853490000000 1.857900000000 0.972011000000 0.606159000000 0.334649000000 0.129846000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
43.736400000000 15.917800000000 6.882080000000 3.291600000000 1.684310000000 0.919601000000 0.455530000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
26.526700000000 14.938000000000 6.458910000000 2.225310000000 0.821027000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.897650000000
1.000000000000
Se:cc-pVDZ-RI-JK
Weigend's Coulomb/exchange fitting basis set
4
0 1 2 3
14 13 11 9
16 14 12 10
30873.025070000000 7904.155452100000 3171.565108200000 1274.875977000000 528.434495420000 212.598133080000 98.072008257000 49.186849747000 23.997356854000 13.252676402000 5.986825585200 2.918286043900 1.495568371200 0.750726882790 0.353518811610 0.162422640830
0.134680709940 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.364135880010 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.806358860030 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4356.766497100000 1329.492034900000 534.453815990000 238.283060950000 106.026228900000 53.697607759000 27.988008454000 14.363262772000 7.473310195700 3.891437454500 1.969524123200 0.830366135360 0.443943891100 0.233893479660
0.225539553320 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.866136629770 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.793763500200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
977.424233270000 316.140942660000 132.779439410000 63.206698137000 31.675866080000 15.794035440000 8.191928835600 4.256075408500 2.129046685000 0.954062207850 0.456316373670 0.205846294830
0.209193710010 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.001651900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
263.625376300000 100.569034400000 45.265127965000 21.309014285000 10.822351629000 5.466823644200 2.672757923500 1.177487011500 0.491010516314 0.199525986314
0.422356700090 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.499662800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
Se:cc-pVTZ-RI-JK
Weigend's Coulomb/exchange fitting basis set
5
0 1 2 3 4
14 13 11 9 4
16 14 12 10 7
30873.025070000000 7904.155452100000 3171.565108200000 1274.875977000000 528.434495420000 212.598133080000 98.072008257000 49.186849747000 23.997356854000 13.252676402000 5.986825585200 2.918286043900 1.495568371200 0.750726882790 0.353518811610 0.162422640830
0.134680709940 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.364135880010 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.806358860030 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4356.766497100000 1329.492034900000 534.453815990000 238.283060950000 106.026228900000 53.697607759000 27.988008454000 14.363262772000 7.473310195700 3.891437454500 1.969524123200 0.830366135360 0.443943891100 0.233893479660
0.225539553320 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.866136629770 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.793763500200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
977.424233270000 316.140942660000 132.779439410000 63.206698137000 31.675866080000 15.794035440000 8.191928835600 4.256075408500 2.129046685000 0.954062207850 0.456316373670 0.205846294830
0.209193710010 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.001651900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
263.625376300000 100.569034400000 45.265127965000 21.309014285000 10.822351629000 5.466823644200 2.672757923500 1.177487011500 0.491010516314 0.199525986314
0.422356700090 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.499662800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
68.201224334000 25.989630238000 11.563440430000 5.385239666500 2.513455379000 1.090016397200 0.502843436315
0.757185730110 0.000000000000 0.000000000000 0.000000000000
2.142790600000 0.000000000000 0.000000000000 0.000000000000
2.273173600000 0.000000000000 0.000000000000 0.000000000000
1.047367700000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
Se:cc-pVQZ-RI-JK
Weigend's Coulomb/exchange fitting basis set
6
0 1 2 3 4 5
14 13 11 9 4 1
16 14 12 10 7 1
30873.025070000000 7904.155452100000 3171.565108200000 1274.875977000000 528.434495420000 212.598133080000 98.072008257000 49.186849747000 23.997356854000 13.252676402000 5.986825585200 2.918286043900 1.495568371200 0.750726882790 0.353518811610 0.162422640830
0.134680709940 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.364135880010 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.806358860030 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4356.766497100000 1329.492034900000 534.453815990000 238.283060950000 106.026228900000 53.697607759000 27.988008454000 14.363262772000 7.473310195700 3.891437454500 1.969524123200 0.830366135360 0.443943891100 0.233893479660
0.225539553320 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.866136629770 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.793763500200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
977.424233270000 316.140942660000 132.779439410000 63.206698137000 31.675866080000 15.794035440000 8.191928835600 4.256075408500 2.129046685000 0.954062207850 0.456316373670 0.205846294830
0.209193710010 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.001651900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
263.625376300000 100.569034400000 45.265127965000 21.309014285000 10.822351629000 5.466823644200 2.672757923500 1.177487011500 0.455876500000 0.238516500000
0.422356700090 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.499662800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
68.201224334000 25.989630238000 11.563440430000 5.385239666500 2.513455379000 1.090016397200 0.369516500000
0.757185730110 0.000000000000 0.000000000000 0.000000000000
2.142790600000 0.000000000000 0.000000000000 0.000000000000
2.273173600000 0.000000000000 0.000000000000 0.000000000000
1.047367700000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.658516500000
1.000000000000
Se:cc-pV5Z-RI-JK
Weigend's Coulomb/exchange fitting basis set
7
0 1 2 3 4 5 6
14 13 11 10 5 2 1
16 14 12 11 8 2 1
30873.025070000000 7904.155452100000 3171.565108200000 1274.875977000000 528.434495420000 212.598133080000 98.072008257000 49.186849747000 23.997356854000 13.252676402000 5.986825585200 2.918286043900 1.495568371200 0.750726882790 0.353518811610 0.162422640830
0.134680709940 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.364135880010 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.806358860030 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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263.625376300000 100.569034400000 45.265127965000 21.309014285000 10.822351629000 5.466823644200 2.672757923500 1.177487011500 0.810280000000 0.390285000000 0.207381000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
68.201224334000 25.989630238000 11.563440430000 5.385239666500 2.513455379000 1.090016397200 0.284281000000 0.495381000000
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1.000000000000
Se:def2-QZVPP-RI-JK
Weigend's Coulomb/exchange fitting basis set
6
0 1 2 3 4 5
17 13 12 9 6 3
20 14 13 10 7 3
16815.984017999999 7876.334364200000 3787.846134200000 1868.771250700000 944.947887300000 489.217297900000 259.032206200000 140.100823000000 77.303788900000 43.454427700000 24.848672100000 14.432287600000 8.500081700000 5.067907700000 3.053411100000 1.855671900000 1.135438800000 0.698141200000 0.430524600000 0.265753200000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
271.854459400000 121.696365000000 55.785745300000 26.115694200000 12.449745600000 6.025251800000 2.950925200000 1.457709100000 0.723830300000 0.360044700000
0.277397527400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.960755229900 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
100.578780200000 38.140177200000 16.554291500000 7.430213500000 3.344728400000 1.335114600000 0.614486000000
0.200067950800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.979782024300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.667943100000 3.222647700000 1.074215900000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Se:def2-QZVPP-RI-J
Weigend's Coulomb fitting basis set
5
0 1 2 3 4
8 4 3 2 1
19 5 5 3 1
182587.109319999989 20799.686092000000 10963.634120999999 3793.644811600000 1539.677314600000 836.267697700000 491.922161300000 176.271637200000 100.126627300000 58.898014400000 33.455521400000 19.006381900000 7.051880100000 4.148164600000 2.392017300000 0.844324100000 0.496661200000 0.282115800000 0.160272500000
0.787168300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
2.843457600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
4.805776300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
18.780940600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
26.695401500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
20.386396200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
15.152749900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-3.883583200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
5.954342100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
26.321379000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
11.671482500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-8.627121900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 8.261220600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 7.520544700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.946624300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.022610900000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.634729000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.206047300000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.060387700000
8.751682600000 2.894440700000 0.976642600000 0.333587900000 0.114410900000
0.010782800000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.034086400000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.012196800000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.002141900000
7.880748600000 2.661141600000 0.925034400000 0.327325900000 0.116522900000
-0.016873900000 0.000000000000 0.000000000000
0.019282200000 0.000000000000 0.000000000000
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0.000000000000 -0.008767900000 0.000000000000
0.000000000000 0.000000000000 -0.000179100000
3.053640900000 0.848141700000 0.235540000000
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0.011037700000 0.000000000000
0.000000000000 0.001641900000
0.961619000000
-0.003864800000
Se:LANL2DZ-ECP-28
LANL2DZ ECP
*
NCORE = 28 LMAX =3
f-ul
-28.000000000000 1 433.193133600000
-214.384176200000 2 83.895215700000
-65.691878200000 2 18.583913900000
-24.615393200000 2 5.395528600000
-2.448149700000 2 1.747432600000
s-ul
3.000000000000 0 202.898619300000
62.029539000000 1 78.382048700000
258.855598400000 2 35.075303700000
118.780015300000 2 10.876954300000
38.235527900000 2 2.800594100000
p-ul
5.000000000000 0 44.301187500000
24.797345800000 1 20.387420600000
63.757564000000 2 23.188994800000
79.051283100000 2 7.977766400000
22.952018300000 2 2.298814600000
d-ul
3.000000000000 0 73.362826300000
22.470590700000 1 48.383561800000
140.549288700000 2 25.629721100000
63.578183500000 2 7.170582200000
7.075361400000 2 1.363953800000
*
Se:MCDHF-ECP-10
Stuttgart-Koeln MCDFH ECP
*
NCORE = 10 LMAX =4
g-ul
0.000000000000 2 1.000000000000
s-ul
370.122888000000 2 30.046990000000
10.456168000000 2 6.918688000000
p-ul
99.135059000000 2 45.773014000000
198.292483000000 2 45.294642000000
28.338747000000 2 20.739648000000
56.749747000000 2 20.028601000000
d-ul
-18.526556000000 2 50.941768000000
-28.334921000000 2 49.594740000000
-0.696089000000 2 16.323522000000
-1.167891000000 2 14.465196000000
0.041443000000 2 3.775330000000
0.235583000000 2 3.501953000000
f-ul
-0.766262000000 2 11.950867000000
-2.102742000000 2 17.810780000000
*
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