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

2607 lines
358 KiB
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Mn:cc-pVDZ
Dunning's correlation consistent basis set
4
0 1 2 3
6 5 3 1
20 16 8 2
3960805.000000000000 593115.500000000000 134976.799999999988 38230.669999999998 12471.540000000001 4501.743000000000 1755.212000000000 727.303900000000 316.367800000000 143.009800000000 66.218050000000 29.918960000000 14.303180000000 6.839451000000 3.012374000000 1.418808000000 0.623624000000 0.134098000000 0.065548000000 0.029584000000
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0.000000426150 -0.000102110000 0.003691700000 0.289880000000 -0.583770000000 1.000000000000
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2.703200000000 0.643800000000
0.426780000000
0.769800000000
Mn:cc-pVTZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
7 6 4 2 1
20 16 8 2 1
3960805.000000000000 593115.500000000000 134976.799999999988 38230.669999999998 12471.540000000001 4501.743000000000 1755.212000000000 727.303900000000 316.367800000000 143.009800000000 66.218050000000 29.918960000000 14.303180000000 6.839451000000 3.012374000000 1.418808000000 0.623624000000 0.134098000000 0.065548000000 0.029584000000
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2.738200000000 0.654300000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.733500000000
1.000000000000
Mn:cc-pVQZ
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
8 7 5 3 2 1
22 18 11 3 2 1
12210500.000000000000 1828157.000000000000 416030.299999999988 117843.600000000006 38448.139999999999 13881.709999999999 5415.002000000000 2246.460000000000 980.146300000000 445.895200000000 210.055800000000 101.804600000000 50.011260000000 22.939390000000 11.522640000000 5.776338000000 2.625959000000 1.260322000000 0.577130000000 0.136582000000 0.063535000000 0.028521000000
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2.000300000000
1.000000000000
Mn:cc-pV5Z
Dunning's correlation consistent basis set
7
0 1 2 3 4 5 6
9 8 6 4 3 2 1
28 20 12 4 3 2 1
137766000.000000000000 24564000.000000000000 5479990.000000000000 1466640.000000000000 454421.000000000000 158216.000000000000 60404.300000000003 24793.599999999999 10772.299999999999 4895.540000000000 2306.560000000000 1119.560000000000 557.381000000000 283.778000000000 147.436000000000 78.022700000000 41.967900000000 22.877800000000 12.584500000000 6.941700000000 3.806290000000 2.050310000000 1.068380000000 0.536606000000 0.183260000000 0.105297000000 0.051464000000 0.024678000000
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79296.800000000003 19317.099999999999 6114.100000000000 2316.260000000000 989.690000000000 457.942000000000 223.642000000000 113.594000000000 59.562100000000 32.107200000000 17.710300000000 9.906210000000 5.522430000000 3.008320000000 1.598730000000 0.830868000000 0.413538000000 0.171108000000 0.072166000000 0.030165000000
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435.100000000000 130.982000000000 50.881600000000 22.300800000000 10.355200000000 5.015210000000 2.467930000000 1.203690000000 0.574152000000 0.264114000000 0.115128000000 0.046082000000
0.000164000000 -0.000167000000 -0.000264000000 -0.000335000000 0.000428000000 0.000000000000
0.001522000000 -0.001552000000 -0.002465000000 -0.003117000000 0.004065000000 0.000000000000
0.008273000000 -0.008465000000 -0.013579000000 -0.017351000000 0.022480000000 0.000000000000
0.030009000000 -0.030879000000 -0.050134000000 -0.064428000000 0.088196000000 0.000000000000
0.082580000000 -0.086974000000 -0.147057000000 -0.203197000000 0.301523000000 0.000000000000
0.173577000000 -0.183899000000 -0.300568000000 -0.412263000000 0.454876000000 0.000000000000
0.262651000000 -0.252334000000 -0.274734000000 -0.010448000000 -0.856274000000 0.000000000000
0.298479000000 -0.170524000000 0.199537000000 0.938306000000 -0.485447000000 0.000000000000
0.265681000000 0.122633000000 0.630424000000 -0.106718000000 1.609704000000 0.000000000000
0.180283000000 0.421657000000 0.093648000000 -0.981534000000 -1.000205000000 0.000000000000
0.076613000000 0.406948000000 -0.578032000000 0.463715000000 -0.345156000000 0.000000000000
0.010765000000 0.105868000000 -0.230603000000 0.414734000000 0.760958000000 1.000000000000
6.560100000000 2.249000000000 0.771000000000 0.264300000000
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
4.937200000000 1.633000000000 0.540100000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.588900000000 1.079300000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
2.605200000000
1.000000000000
Mn:aug-cc-pVDZ
Dunning's correlation consistent basis set
4
0 1 2 3
7 6 4 2
21 17 9 3
3960805.000000000000 593115.500000000000 134976.799999999988 38230.669999999998 12471.540000000001 4501.743000000000 1755.212000000000 727.303900000000 316.367800000000 143.009800000000 66.218050000000 29.918960000000 14.303180000000 6.839451000000 3.012374000000 1.418808000000 0.623624000000 0.134098000000 0.065548000000 0.029584000000 0.013350000000
0.000008242100 -0.000003936100 0.000000946270 -0.000000209540 -0.000000412120 0.000000000000 0.000000000000
0.000064086000 -0.000030605000 0.000007360600 -0.000001629400 -0.000003282100 0.000000000000 0.000000000000
0.000336930000 -0.000160960000 0.000038699000 -0.000008570600 -0.000016674000 0.000000000000 0.000000000000
0.001420600000 -0.000679230000 0.000163510000 -0.000036193000 -0.000073700000 0.000000000000 0.000000000000
0.005143700000 -0.002466200000 0.000594180000 -0.000131610000 -0.000252950000 0.000000000000 0.000000000000
0.016486000000 -0.007957600000 0.001927700000 -0.000426680000 -0.000880140000 0.000000000000 0.000000000000
0.046986000000 -0.023072000000 0.005641700000 -0.001250300000 -0.002365500000 0.000000000000 0.000000000000
0.116240000000 -0.059330000000 0.014878000000 -0.003294700000 -0.006926400000 0.000000000000 0.000000000000
0.233530000000 -0.129950000000 0.034148000000 -0.007581900000 -0.013939000000 0.000000000000 0.000000000000
0.329280000000 -0.221240000000 0.064058000000 -0.014229000000 -0.031438000000 0.000000000000 0.000000000000
0.244030000000 -0.229260000000 0.075577000000 -0.016938000000 -0.026257000000 0.000000000000 0.000000000000
0.072198000000 0.035807000000 -0.019461000000 0.004454300000 -0.010483000000 0.000000000000 0.000000000000
0.076878000000 0.510760000000 -0.295790000000 0.068670000000 0.185650000000 0.000000000000 0.000000000000
0.078522000000 0.500830000000 -0.452120000000 0.111330000000 0.152480000000 0.000000000000 0.000000000000
0.012941000000 0.090118000000 0.122450000000 -0.039008000000 0.074114000000 0.000000000000 0.000000000000
-0.000378490000 -0.006909900000 0.716980000000 -0.221580000000 -1.018100000000 0.000000000000 0.000000000000
-0.000025032000 -0.000191290000 0.409270000000 -0.254440000000 0.298040000000 0.000000000000 0.000000000000
-0.000024215000 -0.000603230000 0.022220000000 0.286590000000 1.972000000000 0.000000000000 0.000000000000
0.000034621000 0.000562160000 -0.009011200000 0.575570000000 -1.179300000000 0.000000000000 0.000000000000
0.000000426150 -0.000102110000 0.003691700000 0.289880000000 -0.583770000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
16205.860000000001 3836.274000000000 1246.048000000000 476.753500000000 202.189500000000 92.094870000000 44.147200000000 21.854680000000 11.085960000000 5.674108000000 2.823170000000 1.368621000000 0.644431000000 0.248382000000 0.097255000000 0.036633000000 0.013800000000
0.000042000000 -0.000015000000 0.000003000000 0.000004000000 0.000000000000 0.000000000000
0.000373000000 -0.000129000000 0.000030000000 0.000040000000 0.000000000000 0.000000000000
0.002149000000 -0.000748000000 0.000172000000 0.000226000000 0.000000000000 0.000000000000
0.009445000000 -0.003308000000 0.000762000000 0.001013000000 0.000000000000 0.000000000000
0.033297000000 -0.011811000000 0.002726000000 0.003575000000 0.000000000000 0.000000000000
0.094759000000 -0.034533000000 0.007976000000 0.010612000000 0.000000000000 0.000000000000
0.208140000000 -0.078785000000 0.018287000000 0.023902000000 0.000000000000 0.000000000000
0.331800000000 -0.132180000000 0.030776000000 0.041279000000 0.000000000000 0.000000000000
0.333180000000 -0.137200000000 0.032373000000 0.041475000000 0.000000000000 0.000000000000
0.157600000000 0.027075000000 -0.009978000000 -0.009458000000 0.000000000000 0.000000000000
0.021445000000 0.328890000000 -0.090529000000 -0.123700000000 0.000000000000 0.000000000000
-0.002558000000 0.457280000000 -0.138000000000 -0.174390000000 0.000000000000 0.000000000000
-0.002027000000 0.288910000000 -0.077965000000 -0.129170000000 0.000000000000 0.000000000000
-0.000360000000 0.047433000000 0.229560000000 0.400350000000 0.000000000000 0.000000000000
0.000034000000 -0.003522000000 0.576120000000 0.669650000000 0.000000000000 0.000000000000
-0.000013000000 0.001456000000 0.348540000000 0.082732000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
100.663000000000 29.833600000000 10.889400000000 4.393580000000 1.817820000000 0.727827000000 0.271295000000 0.088309000000 0.028750000000
0.003579000000 -0.003454000000 0.000000000000 0.000000000000
0.025827000000 -0.024925000000 0.000000000000 0.000000000000
0.098559000000 -0.097635000000 0.000000000000 0.000000000000
0.238330000000 -0.236690000000 0.000000000000 0.000000000000
0.358710000000 -0.292350000000 0.000000000000 0.000000000000
0.365090000000 -0.004973000000 0.000000000000 0.000000000000
0.233740000000 0.506590000000 0.000000000000 0.000000000000
0.056618000000 0.497950000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.703200000000 0.643800000000 0.222600000000
0.426780000000 0.000000000000
0.769800000000 0.000000000000
0.000000000000 1.000000000000
Mn:aug-cc-pVTZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
8 7 5 3 2
21 17 9 3 2
3960805.000000000000 593115.500000000000 134976.799999999988 38230.669999999998 12471.540000000001 4501.743000000000 1755.212000000000 727.303900000000 316.367800000000 143.009800000000 66.218050000000 29.918960000000 14.303180000000 6.839451000000 3.012374000000 1.418808000000 0.623624000000 0.134098000000 0.065548000000 0.029584000000 0.013350000000
0.000008242000 -0.000003936000 0.000000946000 -0.000000210000 -0.000000412000 -0.000000681000 0.000000000000 0.000000000000
0.000064086000 -0.000030605000 0.000007361000 -0.000001629000 -0.000003282000 -0.000005461000 0.000000000000 0.000000000000
0.000336925000 -0.000160963000 0.000038699000 -0.000008571000 -0.000016674000 -0.000027439000 0.000000000000 0.000000000000
0.001420648000 -0.000679235000 0.000163511000 -0.000036193000 -0.000073700000 -0.000123029000 0.000000000000 0.000000000000
0.005143683000 -0.002466182000 0.000594177000 -0.000131615000 -0.000252949000 -0.000414627000 0.000000000000 0.000000000000
0.016485690000 -0.007957629000 0.001927737000 -0.000426681000 -0.000880142000 -0.001475151000 0.000000000000 0.000000000000
0.046985600000 -0.023072480000 0.005641731000 -0.001250270000 -0.002365482000 -0.003859140000 0.000000000000 0.000000000000
0.116243700000 -0.059329560000 0.014878480000 -0.003294665000 -0.006926354000 -0.011684050000 0.000000000000 0.000000000000
0.233527700000 -0.129945100000 0.034147830000 -0.007581860000 -0.013938510000 -0.022571850000 0.000000000000 0.000000000000
0.329283700000 -0.221235200000 0.064057940000 -0.014228640000 -0.031438400000 -0.053997590000 0.000000000000 0.000000000000
0.244030400000 -0.229255000000 0.075576590000 -0.016937960000 -0.026257490000 -0.040323510000 0.000000000000 0.000000000000
0.072198060000 0.035807330000 -0.019460700000 0.004454298000 -0.010483130000 -0.027425260000 0.000000000000 0.000000000000
0.076878060000 0.510760200000 -0.295787400000 0.068670420000 0.185647200000 0.348559300000 0.000000000000 0.000000000000
0.078522350000 0.500830700000 -0.452117000000 0.111333500000 0.152483900000 0.275781800000 0.000000000000 0.000000000000
0.012941090000 0.090118300000 0.122453100000 -0.039008200000 0.074113680000 -0.054998120000 0.000000000000 0.000000000000
-0.000378487000 -0.006909909000 0.716975600000 -0.221575500000 -1.018097000000 -2.292545000000 0.000000000000 0.000000000000
-0.000025032000 -0.000191293000 0.409271200000 -0.254435900000 0.298037200000 2.635644000000 0.000000000000 0.000000000000
-0.000024215000 -0.000603231000 0.022219690000 0.286586600000 1.971989000000 -0.337911300000 0.000000000000 0.000000000000
0.000034621000 0.000562161000 -0.009011202000 0.575574100000 -1.179253000000 -1.789607000000 0.000000000000 0.000000000000
0.000000426000 -0.000102111000 0.003691727000 0.289877800000 -0.583770300000 1.628936000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
16205.860000000001 3836.274000000000 1246.048000000000 476.753500000000 202.189500000000 92.094870000000 44.147200000000 21.854680000000 11.085960000000 5.674108000000 2.823170000000 1.368621000000 0.644431000000 0.248382000000 0.097255000000 0.036633000000 0.013800000000
0.000042000000 -0.000015000000 0.000003000000 0.000004000000 0.000010000000 0.000000000000 0.000000000000
0.000373000000 -0.000129000000 0.000030000000 0.000040000000 0.000081000000 0.000000000000 0.000000000000
0.002149000000 -0.000748000000 0.000172000000 0.000226000000 0.000512000000 0.000000000000 0.000000000000
0.009445000000 -0.003308000000 0.000762000000 0.001013000000 0.002071000000 0.000000000000 0.000000000000
0.033297000000 -0.011811000000 0.002726000000 0.003575000000 0.008111000000 0.000000000000 0.000000000000
0.094759000000 -0.034533000000 0.007976000000 0.010612000000 0.021557000000 0.000000000000 0.000000000000
0.208144000000 -0.078785000000 0.018287000000 0.023902000000 0.055316000000 0.000000000000 0.000000000000
0.331805000000 -0.132183000000 0.030776000000 0.041279000000 0.080263000000 0.000000000000 0.000000000000
0.333175000000 -0.137195000000 0.032373000000 0.041475000000 0.117730000000 0.000000000000 0.000000000000
0.157601000000 0.027075000000 -0.009978000000 -0.009458000000 -0.065069000000 0.000000000000 0.000000000000
0.021445000000 0.328891000000 -0.090529000000 -0.123695000000 -0.282914000000 0.000000000000 0.000000000000
-0.002558000000 0.457280000000 -0.138004000000 -0.174392000000 -0.649166000000 0.000000000000 0.000000000000
-0.002027000000 0.288908000000 -0.077965000000 -0.129170000000 0.692567000000 0.000000000000 0.000000000000
-0.000360000000 0.047433000000 0.229560000000 0.400348000000 0.978990000000 0.000000000000 0.000000000000
0.000034000000 -0.003522000000 0.576122000000 0.669646000000 -0.921357000000 0.000000000000 0.000000000000
-0.000013000000 0.001456000000 0.348538000000 0.082732000000 -0.169915000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
100.663000000000 29.833600000000 10.889400000000 4.393580000000 1.817820000000 0.727827000000 0.271295000000 0.088309000000 0.028750000000
0.003579000000 -0.003454000000 0.005685000000 0.000000000000 0.000000000000
0.025827000000 -0.024925000000 0.041171000000 0.000000000000 0.000000000000
0.098559000000 -0.097635000000 0.169322000000 0.000000000000 0.000000000000
0.238327000000 -0.236692000000 0.385912000000 0.000000000000 0.000000000000
0.358707000000 -0.292350000000 0.186909000000 0.000000000000 0.000000000000
0.365092000000 -0.004973000000 -0.678113000000 0.000000000000 0.000000000000
0.233738000000 0.506588000000 -0.258260000000 0.000000000000 0.000000000000
0.056618000000 0.497951000000 0.767985000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.738200000000 0.654300000000 0.222600000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.733500000000 0.632130000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mn:aug-cc-pVQZ
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
9 8 6 4 3 2
23 19 12 4 3 2
12210500.000000000000 1828157.000000000000 416030.299999999988 117843.600000000006 38448.139999999999 13881.709999999999 5415.002000000000 2246.460000000000 980.146300000000 445.895200000000 210.055800000000 101.804600000000 50.011260000000 22.939390000000 11.522640000000 5.776338000000 2.625959000000 1.260322000000 0.577130000000 0.136582000000 0.063535000000 0.028521000000 0.012800000000
0.000002019000 -0.000000963000 0.000000232000 -0.000000051000 -0.000000102000 -0.000000164000 -0.000000200000 0.000000000000 0.000000000000
0.000015696000 -0.000007494000 0.000001804000 -0.000000399000 -0.000000811000 -0.000001314000 -0.000001479000 0.000000000000 0.000000000000
0.000082579000 -0.000039410000 0.000009476000 -0.000002097000 -0.000004116000 -0.000006633000 -0.000008372000 0.000000000000 0.000000000000
0.000348811000 -0.000166616000 0.000040126000 -0.000008881000 -0.000018239000 -0.000029604000 -0.000032089000 0.000000000000 0.000000000000
0.001270414000 -0.000606904000 0.000145987000 -0.000032307000 -0.000062659000 -0.000100767000 -0.000132141000 0.000000000000 0.000000000000
0.004133905000 -0.001981108000 0.000478237000 -0.000105861000 -0.000220074000 -0.000357904000 -0.000371449000 0.000000000000 0.000000000000
0.012243660000 -0.005893486000 0.001424063000 -0.000315161000 -0.000602468000 -0.000966690000 -0.001326456000 0.000000000000 0.000000000000
0.033060400000 -0.016138490000 0.003942807000 -0.000873007000 -0.001843000000 -0.003005179000 -0.002951265000 0.000000000000 0.000000000000
0.080198770000 -0.040189290000 0.009952411000 -0.002203528000 -0.004127938000 -0.006605816000 -0.009655762000 0.000000000000 0.000000000000
0.167155000000 -0.089034230000 0.022924200000 -0.005081761000 -0.011004710000 -0.018038200000 -0.016169190000 0.000000000000 0.000000000000
0.274397700000 -0.164699300000 0.045016380000 -0.009988834000 -0.017901200000 -0.028530840000 -0.047766470000 0.000000000000 0.000000000000
0.296369000000 -0.228884000000 0.070487420000 -0.015709610000 -0.036762270000 -0.061244130000 -0.040492120000 0.000000000000 0.000000000000
0.159285200000 -0.156068400000 0.052910640000 -0.011839550000 -0.013014270000 -0.018937910000 -0.093899250000 0.000000000000 0.000000000000
0.056818180000 0.188258500000 -0.089839510000 0.020310390000 0.014781530000 0.018886530000 0.192018200000 0.000000000000 0.000000000000
0.082789900000 0.551272500000 -0.362615500000 0.085930550000 0.239171300000 0.432935700000 0.244048700000 0.000000000000 0.000000000000
0.058406280000 0.375511100000 -0.362126600000 0.088974270000 0.089649570000 0.166162200000 0.858906000000 0.000000000000 0.000000000000
0.007343047000 0.050616070000 0.265697900000 -0.076788910000 -0.012996270000 -0.340142700000 -2.793145000000 0.000000000000 0.000000000000
-0.000293479000 -0.004926193000 0.689209100000 -0.226175000000 -1.051330000000 -2.039320000000 1.564069000000 0.000000000000 0.000000000000
-0.000045622000 -0.000612684000 0.333707200000 -0.227186900000 0.447853600000 2.794661000000 1.118462000000 0.000000000000 0.000000000000
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0.000023911000 0.000300919000 -0.004614546000 0.595341900000 -1.071026000000 -1.408003000000 5.462054000000 0.000000000000 0.000000000000
0.000003059000 -0.000027021000 0.002502379000 0.263296700000 -0.569317100000 1.496335000000 -2.638636000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
35005.120000000003 8279.462000000000 2688.465000000000 1029.490000000000 438.070800000000 200.615300000000 97.007690000000 48.870520000000 25.292810000000 13.353820000000 7.131786000000 3.764365000000 1.946265000000 0.985455000000 0.481865000000 0.189212000000 0.077980000000 0.031685000000 0.012870000000
0.000011000000 -0.000004000000 -0.000001000000 0.000001000000 0.000003000000 -0.000003000000 0.000000000000 0.000000000000
0.000098000000 -0.000034000000 -0.000008000000 0.000010000000 0.000021000000 -0.000032000000 0.000000000000 0.000000000000
0.000572000000 -0.000199000000 -0.000046000000 0.000061000000 0.000138000000 -0.000165000000 0.000000000000 0.000000000000
0.002604000000 -0.000907000000 -0.000208000000 0.000278000000 0.000568000000 -0.000852000000 0.000000000000 0.000000000000
0.009779000000 -0.003425000000 -0.000792000000 0.001052000000 0.002368000000 -0.002864000000 0.000000000000 0.000000000000
0.030938000000 -0.010985000000 -0.002522000000 0.003366000000 0.006887000000 -0.010338000000 0.000000000000 0.000000000000
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0.176149000000 -0.066366000000 -0.015292000000 0.020404000000 0.041207000000 -0.063908000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
301.427000000000 90.328800000000 34.833700000000 14.977000000000 6.849830000000 3.252170000000 1.543090000000 0.715641000000 0.319323000000 0.134428000000 0.051570000000 0.019780000000
0.000361000000 -0.000367000000 -0.000581000000 -0.000746000000 0.000000000000 0.000000000000
0.003259000000 -0.003331000000 -0.005304000000 -0.006858000000 0.000000000000 0.000000000000
0.016419000000 -0.016813000000 -0.027019000000 -0.035036000000 0.000000000000 0.000000000000
0.054760000000 -0.056929000000 -0.094067000000 -0.126592000000 0.000000000000 0.000000000000
0.136727000000 -0.145770000000 -0.246938000000 -0.359864000000 0.000000000000 0.000000000000
0.242419000000 -0.246673000000 -0.342051000000 -0.306531000000 0.000000000000 0.000000000000
0.310376000000 -0.234227000000 -0.014621000000 0.752632000000 0.000000000000 0.000000000000
0.302170000000 0.023320000000 0.612070000000 0.417659000000 0.000000000000 0.000000000000
0.213573000000 0.387577000000 0.320112000000 -1.072832000000 0.000000000000 0.000000000000
0.089094000000 0.467695000000 -0.560979000000 0.200043000000 0.000000000000 0.000000000000
0.010857000000 0.149292000000 -0.314670000000 0.554157000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.464600000000 1.313300000000 0.386300000000 0.128290000000
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
3.166800000000 0.865100000000 0.318410000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.000300000000 0.776710000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mn:aug-cc-pV5Z
Dunning's correlation consistent basis set
7
0 1 2 3 4 5 6
10 9 7 5 4 3 1
29 21 13 5 4 3 1
137766000.000000000000 24564000.000000000000 5479990.000000000000 1466640.000000000000 454421.000000000000 158216.000000000000 60404.300000000003 24793.599999999999 10772.299999999999 4895.540000000000 2306.560000000000 1119.560000000000 557.381000000000 283.778000000000 147.436000000000 78.022700000000 41.967900000000 22.877800000000 12.584500000000 6.941700000000 3.806290000000 2.050310000000 1.068380000000 0.536606000000 0.183260000000 0.105297000000 0.051464000000 0.024678000000 0.011830000000
0.000000088000 -0.000000042000 0.000000010000 -0.000000002000 -0.000000005000 -0.000000007000 0.000000009000 -0.000000011000 0.000000000000 0.000000000000
0.000000591000 -0.000000282000 0.000000068000 -0.000000015000 -0.000000030000 -0.000000047000 0.000000061000 -0.000000073000 0.000000000000 0.000000000000
0.000003421000 -0.000001632000 0.000000393000 -0.000000087000 -0.000000176000 -0.000000277000 0.000000344000 -0.000000410000 0.000000000000 0.000000000000
0.000015660000 -0.000007471000 0.000001799000 -0.000000398000 -0.000000795000 -0.000001248000 0.000001630000 -0.000001953000 0.000000000000 0.000000000000
0.000060638000 -0.000028932000 0.000006964000 -0.000001541000 -0.000003126000 -0.000004937000 0.000006053000 -0.000007193000 0.000000000000 0.000000000000
0.000205366000 -0.000098004000 0.000023603000 -0.000005222000 -0.000010390000 -0.000016294000 0.000021582000 -0.000025913000 0.000000000000 0.000000000000
0.000627818000 -0.000299755000 0.000072172000 -0.000015967000 -0.000032536000 -0.000051471000 0.000061996000 -0.000073491000 0.000000000000 0.000000000000
0.001771534000 -0.000846812000 0.000204184000 -0.000045181000 -0.000089434000 -0.000139987000 0.000189093000 -0.000227623000 0.000000000000 0.000000000000
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0.027691210000 -0.013493290000 0.003290005000 -0.000727969000 -0.001500461000 -0.002384126000 0.002744429000 -0.003235321000 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
79296.800000000003 19317.099999999999 6114.100000000000 2316.260000000000 989.690000000000 457.942000000000 223.642000000000 113.594000000000 59.562100000000 32.107200000000 17.710300000000 9.906210000000 5.522430000000 3.008320000000 1.598730000000 0.830868000000 0.413538000000 0.171108000000 0.072166000000 0.030165000000 0.012610000000
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0.270929000000 -0.108133000000 -0.024615000000 0.033124000000 0.063748000000 0.193843000000 -0.237212000000 0.000000000000 0.000000000000
0.131124000000 0.033091000000 0.009715000000 -0.012322000000 -0.004820000000 -0.167091000000 0.428933000000 0.000000000000 0.000000000000
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0.000000000000 0.000134000000 -0.217186000000 0.022595000000 -0.035052000000 0.075756000000 0.152978000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
435.100000000000 130.982000000000 50.881600000000 22.300800000000 10.355200000000 5.015210000000 2.467930000000 1.203690000000 0.574152000000 0.264114000000 0.115128000000 0.046082000000 0.018450000000
0.000164000000 -0.000167000000 -0.000264000000 -0.000335000000 0.000428000000 0.000000000000 0.000000000000
0.001522000000 -0.001552000000 -0.002465000000 -0.003117000000 0.004065000000 0.000000000000 0.000000000000
0.008273000000 -0.008465000000 -0.013579000000 -0.017351000000 0.022480000000 0.000000000000 0.000000000000
0.030009000000 -0.030879000000 -0.050134000000 -0.064428000000 0.088196000000 0.000000000000 0.000000000000
0.082580000000 -0.086974000000 -0.147057000000 -0.203197000000 0.301523000000 0.000000000000 0.000000000000
0.173577000000 -0.183899000000 -0.300568000000 -0.412263000000 0.454876000000 0.000000000000 0.000000000000
0.262651000000 -0.252334000000 -0.274734000000 -0.010448000000 -0.856274000000 0.000000000000 0.000000000000
0.298479000000 -0.170524000000 0.199537000000 0.938306000000 -0.485447000000 0.000000000000 0.000000000000
0.265681000000 0.122633000000 0.630424000000 -0.106718000000 1.609704000000 0.000000000000 0.000000000000
0.180283000000 0.421657000000 0.093648000000 -0.981534000000 -1.000205000000 0.000000000000 0.000000000000
0.076613000000 0.406948000000 -0.578032000000 0.463715000000 -0.345156000000 0.000000000000 0.000000000000
0.010765000000 0.105868000000 -0.230603000000 0.414734000000 0.760958000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.560100000000 2.249000000000 0.771000000000 0.264300000000 0.087530000000
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
4.937200000000 1.633000000000 0.540100000000 0.192530000000
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
3.588900000000 1.079300000000 0.417870000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.605200000000
1.000000000000
Mn:aug-cc-pwCVTZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
10 9 7 4 3
23 19 11 4 3
3960805.000000000000 593115.500000000000 134976.799999999988 38230.669999999998 12471.540000000001 4501.743000000000 1755.212000000000 727.303900000000 316.367800000000 143.009800000000 66.218050000000 29.918960000000 14.303180000000 6.839451000000 4.109000000000 3.012374000000 1.418808000000 1.065600000000 0.623624000000 0.134098000000 0.065548000000 0.029584000000 0.013350000000
0.000008242127 -0.000003936095 0.000000000000 0.000000000000 0.000000946271 -0.000000209539 -0.000000412123 -0.000000680549 0.000000000000 0.000000000000
0.000064085870 -0.000030604810 0.000000000000 0.000000000000 0.000007360584 -0.000001629439 -0.000003282099 -0.000005460516 0.000000000000 0.000000000000
0.000336925300 -0.000160962600 0.000000000000 0.000000000000 0.000038699350 -0.000008570592 -0.000016674330 -0.000027438930 0.000000000000 0.000000000000
0.001420648000 -0.000679234800 0.000000000000 0.000000000000 0.000163511000 -0.000036192720 -0.000073699990 -0.000123029100 0.000000000000 0.000000000000
0.005143683000 -0.002466182000 0.000000000000 0.000000000000 0.000594177500 -0.000131614600 -0.000252949500 -0.000414626900 0.000000000000 0.000000000000
0.016485690000 -0.007957629000 0.000000000000 0.000000000000 0.001927737000 -0.000426681000 -0.000880142500 -0.001475151000 0.000000000000 0.000000000000
0.046985600000 -0.023072480000 0.000000000000 0.000000000000 0.005641731000 -0.001250270000 -0.002365482000 -0.003859140000 0.000000000000 0.000000000000
0.116243700000 -0.059329560000 0.000000000000 0.000000000000 0.014878480000 -0.003294665000 -0.006926354000 -0.011684050000 0.000000000000 0.000000000000
0.233527700000 -0.129945100000 0.000000000000 0.000000000000 0.034147830000 -0.007581860000 -0.013938510000 -0.022571850000 0.000000000000 0.000000000000
0.329283700000 -0.221235200000 0.000000000000 0.000000000000 0.064057940000 -0.014228640000 -0.031438400000 -0.053997590000 0.000000000000 0.000000000000
0.244030400000 -0.229255000000 0.000000000000 0.000000000000 0.075576590000 -0.016937960000 -0.026257490000 -0.040323510000 0.000000000000 0.000000000000
0.072198060000 0.035807330000 0.000000000000 0.000000000000 -0.019460700000 0.004454298000 -0.010483130000 -0.027425260000 0.000000000000 0.000000000000
0.076878060000 0.510760200000 0.000000000000 0.000000000000 -0.295787400000 0.068670420000 0.185647200000 0.348559300000 0.000000000000 0.000000000000
0.078522350000 0.500830700000 0.000000000000 0.000000000000 -0.452117000000 0.111333500000 0.152483900000 0.275781800000 0.000000000000 0.000000000000
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0.012941090000 0.090118300000 0.000000000000 0.000000000000 0.122453100000 -0.039008200000 0.074113680000 -0.054998120000 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 0.000000000000
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0.000034620710 0.000562160800 0.000000000000 0.000000000000 -0.009011202000 0.575574100000 -1.179253000000 -1.789607000000 0.000000000000 0.000000000000
0.000000426148 -0.000102110900 0.000000000000 0.000000000000 0.003691727000 0.289877800000 -0.583770300000 1.628936000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
16205.860000000001 3836.274000000000 1246.048000000000 476.753500000000 202.189500000000 92.094870000000 44.147200000000 21.854680000000 11.085960000000 6.029100000000 5.674108000000 2.823170000000 1.387400000000 1.368621000000 0.644431000000 0.248382000000 0.097255000000 0.036633000000 0.013800000000
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100.663000000000 29.833600000000 10.889400000000 4.393580000000 3.942500000000 1.848700000000 1.817820000000 0.727827000000 0.271295000000 0.088309000000 0.028750000000
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5.181600000000 1.923200000000 0.654300000000 0.222600000000
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
4.753800000000 1.733500000000 0.632130000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mn:aug-cc-pwCVQZ
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
11 10 8 5 4 3
25 21 14 5 4 3
12210500.000000000000 1828157.000000000000 416030.299999999988 117843.600000000006 38448.139999999999 13881.709999999999 5415.002000000000 2246.460000000000 980.146300000000 445.895200000000 210.055800000000 101.804600000000 50.011260000000 22.939390000000 11.522640000000 5.776338000000 5.281900000000 2.625959000000 1.540600000000 1.260322000000 0.577130000000 0.136582000000 0.063535000000 0.028521000000 0.012800000000
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6.696500000000 2.791000000000 1.163200000000 0.386300000000 0.128290000000
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5.480800000000 2.350400000000 0.865100000000 0.318410000000
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5.151500000000 2.000300000000 0.776710000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mn:aug-cc-pwCV5Z
Dunning's correlation consistent basis set
7
0 1 2 3 4 5 6
12 11 9 6 5 4 3
31 23 15 6 5 4 3
137766000.000000000000 24564000.000000000000 5479990.000000000000 1466640.000000000000 454421.000000000000 158216.000000000000 60404.300000000003 24793.599999999999 10772.299999999999 4895.540000000000 2306.560000000000 1119.560000000000 557.381000000000 283.778000000000 147.436000000000 78.022700000000 41.967900000000 22.877800000000 12.584500000000 6.941700000000 5.822100000000 3.806290000000 2.050310000000 1.991600000000 1.068380000000 0.536606000000 0.183260000000 0.105297000000 0.051464000000 0.024678000000 0.011830000000
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0.000000000000 0.000000000000 0.030009000000 -0.030879000000 -0.050134000000 -0.064428000000 0.088196000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.082580000000 -0.086974000000 -0.147057000000 -0.203197000000 0.301523000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.173577000000 -0.183899000000 -0.300568000000 -0.412263000000 0.454876000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.262651000000 -0.252334000000 -0.274734000000 -0.010448000000 -0.856274000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.298479000000 -0.170524000000 0.199537000000 0.938306000000 -0.485447000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.265681000000 0.122633000000 0.630424000000 -0.106718000000 1.609704000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.180283000000 0.421657000000 0.093648000000 -0.981534000000 -1.000205000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.076613000000 0.406948000000 -0.578032000000 0.463715000000 -0.345156000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.010765000000 0.105868000000 -0.230603000000 0.414734000000 0.760958000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.517300000000 4.165800000000 1.823400000000 0.798100000000 0.264300000000 0.087530000000
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
6.493500000000 3.136600000000 1.515100000000 0.540100000000 0.192530000000
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
6.013700000000 2.787700000000 1.079300000000 0.417870000000
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
6.102300000000 2.605200000000 1.112210000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mn:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 3 2
14 9 5
56137.009037000003 8429.206394299999 1917.827723300000 541.362301980000 176.000691420000 60.500477010000 117.172828820000 13.596973368000 5.548399634100 9.466285353000 1.559500607000 0.652302058680 0.084003734475 0.031256098581
0.001432130470 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010972509162 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054382468712 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.188843351290 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.381980250540 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.291567725960 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.109336613280 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.643050394310 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.458489705840 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.225389772590 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.723077586570 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.453007215360 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
706.004975350000 166.197288200000 52.452061906000 18.746932862000 6.928299162200 3.477220493800 1.340690644900 0.504988030380 0.127650000000
0.009505551817 0.000000000000 0.000000000000
0.070356271142 0.000000000000 0.000000000000
0.270055569820 0.000000000000 0.000000000000
0.525743446020 0.000000000000 0.000000000000
0.342540332230 0.000000000000 0.000000000000
0.000000000000 0.339940737360 0.000000000000
0.000000000000 0.572038362540 0.000000000000
0.000000000000 0.238476058310 0.000000000000
0.000000000000 0.000000000000 1.000000000000
35.423264935000 9.781422145100 3.267348876700 1.102647218900 0.337432059340
0.026985304111 0.000000000000
0.143834586480 0.000000000000
0.364189583770 0.000000000000
0.481526706610 0.000000000000
0.000000000000 0.314587543600
Mn:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
5 3 2 1
14 9 5 1
56137.009037000003 8429.206394299999 1917.827723300000 541.362301980000 176.000691420000 60.500477010000 117.172828820000 13.596973368000 5.548399634100 9.466285353000 1.559500607000 0.652302058680 0.084003734475 0.031256098581
0.001432130470 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010972509162 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054382468712 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.188843351290 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.381980250540 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.291567725960 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.109336613280 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.643050394310 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.458489705840 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.225389772590 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.723077586570 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.453007215360 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
706.004975350000 166.197288200000 52.452061906000 18.746932862000 6.928299162200 3.477220493800 1.340690644900 0.504988030380 0.127650000000
0.009505551817 0.000000000000 0.000000000000
0.070356271142 0.000000000000 0.000000000000
0.270055569820 0.000000000000 0.000000000000
0.525743446020 0.000000000000 0.000000000000
0.342540332230 0.000000000000 0.000000000000
0.000000000000 0.339940737360 0.000000000000
0.000000000000 0.572038362540 0.000000000000
0.000000000000 0.238476058310 0.000000000000
0.000000000000 0.000000000000 1.000000000000
35.423264935000 9.781422145100 3.267348876700 1.102647218900 0.337432059340
0.026985304111 0.000000000000
0.143834586480 0.000000000000
0.364189583770 0.000000000000
0.481526706610 0.000000000000
0.000000000000 0.314587543600
1.326000000000
1.000000000000
Mn:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 4 4 1
17 11 7 1
277185.001530000009 41550.769890000003 9455.970015200000 2676.520648200000 871.466875300000 312.983064200000 121.444540510000 47.922598829000 303.667231630000 93.881403187000 14.879421214000 6.286520074500 9.485859133700 1.569870615800 0.659032136080 0.106862923710 0.039267435433
0.000228383851 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001770765037 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009207720999 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.037415971825 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.121648614260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.288243924990 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.410416008470 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.213723751450 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024589926140 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.116026080380 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.551120596770 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.537075607560 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.228892626950 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.711961695870 0.000000000000 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
1444.797818200000 342.065511970000 109.584008910000 40.747988173000 16.188626566000 6.548450596400 25.357086437000 3.483016878200 1.385880090600 0.525550948930 0.127650000000
0.002399413645 0.000000000000 0.000000000000 0.000000000000
0.019369286864 0.000000000000 0.000000000000 0.000000000000
0.090236108988 0.000000000000 0.000000000000 0.000000000000
0.257454678510 0.000000000000 0.000000000000 0.000000000000
0.412723519580 0.000000000000 0.000000000000 0.000000000000
0.240877000070 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028707174058 0.000000000000 0.000000000000
0.000000000000 0.552081007120 0.000000000000 0.000000000000
0.000000000000 0.972269013790 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
56.563189119000 16.278734711000 5.696427391400 2.141114794200 0.782918019380 0.259523112140 0.086000000000
0.011543245295 0.000000000000 0.000000000000 0.000000000000
0.070299845987 0.000000000000 0.000000000000 0.000000000000
0.224507708213 0.000000000000 0.000000000000 0.000000000000
0.397030654342 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.419410391654 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.218872616727 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.326000000000
1.000000000000
Mn:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 5 4 2 1
17 12 7 2 1
277185.001530000009 41550.769890000003 9455.970015200000 2676.520648200000 871.466875300000 312.983064200000 121.444540510000 47.922598829000 303.667231630000 93.881403187000 14.879421214000 6.286520074500 9.485859133700 1.569870615800 0.659032136080 0.106862923710 0.039267435433
0.000228383851 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001770765037 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009207720999 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.037415971825 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.121648614260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.288243924990 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.410416008470 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.213723751450 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024589926140 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.116026080380 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.551120596770 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.537075607560 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.228892626950 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.711961695870 0.000000000000 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
1444.797818200000 342.065511970000 109.584008910000 40.747988173000 16.188626566000 6.548450596400 25.357086437000 3.483016878200 1.385880090600 0.525550948930 0.199300000000 0.075570000000
0.002399413645 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019369286864 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.090236108988 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.257454678510 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.412723519580 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.240877000070 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028707174058 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.552081007120 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.972269013790 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
56.563189119000 16.278734711000 5.696427391400 2.141114794200 0.782918019380 0.259523112140 0.086000000000
0.011543245295 0.000000000000 0.000000000000 0.000000000000
0.070299845987 0.000000000000 0.000000000000 0.000000000000
0.224507708213 0.000000000000 0.000000000000 0.000000000000
0.397030654342 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.419410391654 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.218872616727 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.975000000000 0.720000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.755000000000
1.000000000000
Mn:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 3 1
24 18 10 3 1
4289357.644100000151 636361.002850000048 143637.275690000009 40406.345432000002 13104.363417000000 4705.066425500000 1825.712543200000 753.338162290000 326.472532850000 147.103006700000 67.987226869000 1300.726671700000 402.720275440000 154.389713480000 66.443384613000 30.975316006000 14.222980890000 6.759826507400 2.908708328700 1.396650779200 0.617926240910 0.134394837150 0.065195053803 0.029415713624
0.000007936055 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000062542987 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000332263887 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001413000957 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005156091832 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.016659574919 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.047908083403 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.119949037520 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.245502969590 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.358227395710 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.282957644420 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.007602515414 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.074365109808 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.337804748190 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.627793317460 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 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
6483.262965800000 1556.713485900000 509.739254600000 195.284080890000 82.542547525000 37.212076731000 17.425804462000 8.369137696200 3.940900044400 57.202741010000 20.090935947000 3.935755376300 1.818198401200 0.818815352810 0.340383591930 0.150000000000 0.063000000000 0.027000000000
0.000204797789 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001752575019 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009579880246 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.038681362983 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.118324015880 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.261684596270 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.384006288210 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.297041667590 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.078263290323 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.004774909980 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.022989729915 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.231970658810 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.484352040430 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.391594790040 0.000000000000 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
200.402545350000 59.898225773000 22.810570167000 9.587414209700 4.293371091000 1.953761837300 0.873788735980 0.375977489040 0.148115475920 0.060000000000
0.000895495602 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007625763094 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.034523224226 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.105526769750 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.225753776830 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.327665336670 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
4.353000000000 1.326000000000 0.408000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.755000000000
1.000000000000
Mn:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 4 2
24 18 10 4 2
4289357.644100000151 636361.002850000048 143637.275690000009 40406.345432000002 13104.363417000000 4705.066425500000 1825.712543200000 753.338162290000 326.472532850000 147.103006700000 67.987226869000 1300.726671700000 402.720275440000 154.389713480000 66.443384613000 30.975316006000 14.222980890000 6.759826507400 2.908708328700 1.396650779200 0.617926240910 0.134394837150 0.065195053803 0.029415713624
0.000007936055 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000062542987 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000332263887 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001413000957 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005156091832 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.016659574919 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.047908083403 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.119949037520 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.245502969590 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.358227395710 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.282957644420 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.007602515414 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.074365109808 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.337804748190 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.627793317460 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 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
6483.262965800000 1556.713485900000 509.739254600000 195.284080890000 82.542547525000 37.212076731000 17.425804462000 8.369137696200 3.940900044400 57.202741010000 20.090935947000 3.935755376300 1.818198401200 0.818815352810 0.340383591930 0.150000000000 0.063000000000 0.027000000000
0.000204797789 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001752575019 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009579880246 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.038681362983 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.118324015880 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.261684596270 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.384006288210 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.297041667590 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.078263290323 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.004774909980 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.022989729915 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.231970658810 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.484352040430 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.391594790040 0.000000000000 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
200.402545350000 59.898225773000 22.810570167000 9.587414209700 4.293371091000 1.953761837300 0.873788735980 0.375977489040 0.148115475920 0.060000000000
0.000895495602 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007625763094 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.034523224226 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.105526769750 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.225753776830 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.327665336670 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
4.353000000000 1.326000000000 0.408000000000 0.125500000000
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
3.316000000000 0.929000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mn:def2-SVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
5 4 2 1
14 10 5 1
56137.009037000003 8429.206394299999 1917.827723300000 541.362301980000 176.000691420000 60.500477010000 117.172828820000 13.596973368000 5.548399634100 9.466285353000 1.559500607000 0.652302058680 0.084003734475 0.031256098581
0.001432130470 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010972509162 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054382468712 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.188843351290 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.381980250540 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.291567725960 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.109336613280 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.643050394310 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.458489705840 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.225389772590 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.723077586570 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.453007215360 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
706.004975350000 166.197288200000 52.452061906000 18.746932862000 6.928299162200 3.477220493800 1.340690644900 0.504988030380 0.127650000000 0.036336999053
0.009505551817 0.000000000000 0.000000000000 0.000000000000
0.070356271142 0.000000000000 0.000000000000 0.000000000000
0.270055569820 0.000000000000 0.000000000000 0.000000000000
0.525743446020 0.000000000000 0.000000000000 0.000000000000
0.342540332230 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.339940737360 0.000000000000 0.000000000000
0.000000000000 0.572038362540 0.000000000000 0.000000000000
0.000000000000 0.238476058310 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
35.423264935000 9.781422145100 3.267348876700 1.102647218900 0.337432059340
0.026985304111 0.000000000000
0.143834586480 0.000000000000
0.364189583770 0.000000000000
0.481526706610 0.000000000000
0.000000000000 0.314587543600
1.326000000000
1.000000000000
Mn:def2-TZVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 5 4 1
17 12 7 1
277185.001530000009 41550.769890000003 9455.970015200000 2676.520648200000 871.466875300000 312.983064200000 121.444540510000 47.922598829000 303.667231630000 93.881403187000 14.879421214000 6.286520074500 9.485859133700 1.569870615800 0.659032136080 0.106862923710 0.039267435433
0.000228383851 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001770765037 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009207720999 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.037415971825 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.121648614260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.288243924990 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.410416008470 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.213723751450 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024589926140 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.116026080380 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.551120596770 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.537075607560 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.228892626950 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.711961695870 0.000000000000 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
1444.797818200000 342.065511970000 109.584008910000 40.747988173000 16.188626566000 6.548450596400 25.357086437000 3.483016878200 1.385880090600 0.525550948930 0.127650000000 0.030240117841
0.002399413645 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019369286864 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.090236108988 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.257454678510 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.412723519580 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.240877000070 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028707174058 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.552081007120 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.972269013790 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
56.563189119000 16.278734711000 5.696427391400 2.141114794200 0.782918019380 0.259523112140 0.086000000000
0.011543245295 0.000000000000 0.000000000000 0.000000000000
0.070299845987 0.000000000000 0.000000000000 0.000000000000
0.224507708213 0.000000000000 0.000000000000 0.000000000000
0.397030654342 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.419410391654 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.218872616727 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.326000000000
1.000000000000
Mn:def2-TZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 6 4 2 1
17 13 7 2 1
277185.001530000009 41550.769890000003 9455.970015200000 2676.520648200000 871.466875300000 312.983064200000 121.444540510000 47.922598829000 303.667231630000 93.881403187000 14.879421214000 6.286520074500 9.485859133700 1.569870615800 0.659032136080 0.106862923710 0.039267435433
0.000228383851 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001770765037 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009207720999 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.037415971825 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.121648614260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.288243924990 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.410416008470 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.213723751450 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024589926140 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.116026080380 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.551120596770 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.537075607560 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.228892626950 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.711961695870 0.000000000000 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
1444.797818200000 342.065511970000 109.584008910000 40.747988173000 16.188626566000 6.548450596400 25.357086437000 3.483016878200 1.385880090600 0.525550948930 0.199300000000 0.075570000000 0.030240117841
0.002399413645 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019369286864 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.090236108988 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.257454678510 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.412723519580 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.240877000070 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028707174058 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.552081007120 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.972269013790 0.000000000000 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
56.563189119000 16.278734711000 5.696427391400 2.141114794200 0.782918019380 0.259523112140 0.086000000000
0.011543245295 0.000000000000 0.000000000000 0.000000000000
0.070299845987 0.000000000000 0.000000000000 0.000000000000
0.224507708213 0.000000000000 0.000000000000 0.000000000000
0.397030654342 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.419410391654 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.218872616727 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.975000000000 0.720000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.755000000000
1.000000000000
Mn:def2-QZVPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 3 1
24 18 10 3 1
4289357.644100000151 636361.002850000048 143637.275690000009 40406.345432000002 13104.363417000000 4705.066425500000 1825.712543200000 753.338162290000 326.472532850000 147.103006700000 67.987226869000 1300.726671700000 402.720275440000 154.389713480000 66.443384613000 30.975316006000 14.222980890000 6.759826507400 2.908708328700 1.396650779200 0.617926240910 0.134394837150 0.065195053803 0.029415713624
0.000007936055 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000062542987 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000332263887 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001413000957 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005156091832 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.016659574919 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.047908083403 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.119949037520 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.245502969590 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.358227395710 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.282957644420 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.007602515414 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.074365109808 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.337804748190 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.627793317460 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 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
6483.262965800000 1556.713485900000 509.739254600000 195.284080890000 82.542547525000 37.212076731000 17.425804462000 8.369137696200 3.940900044400 57.202741010000 20.090935947000 3.935755376300 1.818198401200 0.818815352810 0.340383591930 0.150000000000 0.063000000000 0.027000000000
0.000204797789 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001752575019 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009579880246 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.038681362983 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.118324015880 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.261684596270 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.384006288210 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.297041667590 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.078263290323 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.004774909980 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.022989729915 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.231970658810 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.484352040430 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.391594790040 0.000000000000 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
200.402545350000 59.898225773000 22.810570167000 9.587414209700 4.293371091000 1.953761837300 0.873788735980 0.375977489040 0.148115475920 0.060000000000
0.000895495602 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007625763094 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.034523224226 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.105526769750 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.225753776830 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.327665336670 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
4.353000000000 1.326000000000 0.408000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.755000000000
1.000000000000
Mn:def2-QZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 4 2
24 18 10 4 2
4289357.644100000151 636361.002850000048 143637.275690000009 40406.345432000002 13104.363417000000 4705.066425500000 1825.712543200000 753.338162290000 326.472532850000 147.103006700000 67.987226869000 1300.726671700000 402.720275440000 154.389713480000 66.443384613000 30.975316006000 14.222980890000 6.759826507400 2.908708328700 1.396650779200 0.617926240910 0.134394837150 0.065195053803 0.029415713624
0.000007936055 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000062542987 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000332263887 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001413000957 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005156091832 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.016659574919 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.047908083403 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.119949037520 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.245502969590 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.358227395710 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.282957644420 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.007602515414 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.074365109808 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.337804748190 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.627793317460 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 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
6483.262965800000 1556.713485900000 509.739254600000 195.284080890000 82.542547525000 37.212076731000 17.425804462000 8.369137696200 3.940900044400 57.202741010000 20.090935947000 3.935755376300 1.818198401200 0.818815352810 0.340383591930 0.150000000000 0.063000000000 0.027000000000
0.000204797789 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001752575019 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009579880246 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.038681362983 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.118324015880 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.261684596270 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.384006288210 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.297041667590 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.078263290323 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.004774909980 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.022989729915 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.231970658810 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.484352040430 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.391594790040 0.000000000000 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
200.402545350000 59.898225773000 22.810570167000 9.587414209700 4.293371091000 1.953761837300 0.873788735980 0.375977489040 0.148115475920 0.060000000000
0.000895495602 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007625763094 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.034523224226 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.105526769750 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.225753776830 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.327665336670 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
4.353000000000 1.326000000000 0.408000000000 0.125500000000
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
3.316000000000 0.929000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mn:LANL2DZ
Hay and Wadt's LANL2DZ Gaussian basis set
3
0 1 2
3 3 2
5 5 5
5.914000000000 1.605000000000 0.626000000000 0.111500000000 0.038000000000
-0.376450800000 0.211996600000 0.000000000000
0.772478900000 -0.519947200000 0.000000000000
0.476934600000 -0.585768100000 0.000000000000
0.000000000000 1.100396400000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
18.200000000000 2.141000000000 0.700900000000 0.069000000000 0.021000000000
-0.044790100000 0.000000000000 0.000000000000
0.626031100000 0.000000000000 0.000000000000
0.469632900000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
32.270000000000 8.875000000000 2.890000000000 0.876100000000 0.212000000000
0.034158000000 0.000000000000
0.176110500000 0.000000000000
0.439429800000 0.000000000000
0.594327100000 0.000000000000
0.000000000000 1.000000000000
Mn:aug-cc-pwCVTZ-RI
Hattig's auxiliary basis set
7
0 1 2 3 4 5 6
15 14 12 11 9 6 4
15 14 12 11 9 6 4
1143.070000000000 373.842000000000 92.286800000000 36.615400000000 18.163000000000 9.006720000000 6.052560000000 3.688580000000 1.961470000000 0.958533000000 0.583774000000 0.280842000000 0.100203000000 0.074498000000 0.039524000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
454.625000000000 191.179000000000 41.531800000000 17.924400000000 8.035170000000 5.296640000000 2.948070000000 2.120320000000 1.071020000000 0.631811000000 0.342450000000 0.150249000000 0.076329000000 0.041249000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
182.324000000000 59.678800000000 23.807700000000 9.720860000000 6.754210000000 4.097540000000 2.304580000000 1.298110000000 0.684079000000 0.360412000000 0.140496000000 0.067798000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
87.040300000000 33.437600000000 12.619000000000 6.680460000000 4.600460000000 2.616850000000 1.250900000000 0.687226000000 0.401473000000 0.308603000000 0.180792000000
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
35.051200000000 14.278000000000 7.251190000000 4.867880000000 2.699640000000 1.385940000000 0.891164000000 0.570246000000 0.233295000000
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
16.905700000000 7.597830000000 4.708980000000 2.750290000000 1.123730000000 0.470865000000
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
9.416640000000 5.657320000000 2.600570000000 1.070657000000
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
Mn:def2-SV(P)-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
9 7 5 3 2
11 9 7 6 4
99.367910000000 43.169587000000 19.542687000000 9.187503000000 4.468372000000 2.238593000000 1.149809000000 0.602402000000 0.320186000000 0.171679000000 0.092322000000
-0.469109320000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.223254180000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.161586650000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
155.397820000000 41.596456000000 13.623422000000 3.687856260000 1.342667290000 0.784319780000 0.414501980000 0.217103950000 0.099175320000
-0.534167080000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.558875390000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.130305710000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.913675510000 0.000000000000 0.000000000000 0.000000000000 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
76.699633000000 19.921464000000 6.210781200000 3.187694900000 1.636004650000 0.732108430000 0.347146480000
0.979470230000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
10.000314190000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.558890860000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.327579840000 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
44.933327000000 14.445398000000 5.336308900000 2.687910620000 1.187754740000 0.506367000000
-1.066460640000 0.000000000000 0.000000000000
0.161864270000 0.000000000000 0.000000000000
2.290810790000 0.000000000000 0.000000000000
1.164717810000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
12.011508000000 3.988697280000 1.721246800000 0.617115540000
1.009846680000 0.000000000000
1.201650380000 0.000000000000
0.000000000000 -0.257040780000
0.000000000000 -0.294032040000
Mn:def2-SVP-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
9 9 6 4 3 2
9 9 6 4 3 2
25.156100000000 11.829100000000 5.221150000000 2.383710000000 1.378910000000 0.679085000000 0.292537000000 0.142250000000 0.070940000000
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
54.368200000000 18.587100000000 9.293590000000 3.271890000000 1.703610000000 0.686760000000 0.343330000000 0.171676000000 0.087873200000
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
24.610500000000 9.478600000000 5.451560000000 2.111250000000 0.914517000000 0.414559000000
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
4.872870000000 2.162960000000 1.031120000000 0.493268000000
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
8.606160000000 2.693370000000 0.780561000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.696820000000 2.079400000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mn:def2-TZVP-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
9 8 8 6 5 2
11 9 8 6 5 2
99.367910000000 43.169587000000 19.542687000000 9.187503000000 4.468372000000 2.238593000000 1.149809000000 0.602402000000 0.320186000000 0.171679000000 0.092322000000
-0.469109320000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.223254180000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.161586650000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
155.397820000000 41.596456000000 13.623422000000 3.687856260000 1.342667290000 0.784319780000 0.414501980000 0.217103950000 0.099175320000
-0.534167080000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.558875390000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.130305710000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.913675510000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
72.725800000000 19.303500000000 5.449270000000 2.996820000000 1.617970000000 0.723589000000 0.378969000000 0.144111000000
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
40.630800000000 6.914500000000 3.663120000000 1.777060000000 0.989248000000 0.379360000000
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
12.400400000000 3.969800000000 1.975120000000 0.745335000000 0.312895000000
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
4.635020000000 2.144680000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mn:def2-TZVPP-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
9 9 8 7 5 3 1
9 9 8 7 5 3 1
19.542700000000 9.187500000000 4.468370000000 2.238590000000 1.149810000000 0.602402000000 0.320186000000 0.171679000000 0.092322000000
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
35.585400000000 12.609400000000 3.687860000000 1.342670000000 0.784320000000 0.414502000000 0.217104000000 0.117132000000 0.060397600000
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
76.699000000000 16.199200000000 6.210780000000 3.187690000000 1.636000000000 0.732108000000 0.362784000000 0.144149000000
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
39.167200000000 9.612230000000 4.621070000000 2.085930000000 0.972723000000 0.525391000000 0.219820000000
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
13.446900000000 4.740740000000 2.287370000000 1.171670000000 0.563298000000
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
7.886700000000 3.124020000000 1.342450000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.116590000000
1.000000000000
Mn:def2-QZVPP-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
15 13 11 8 7 5 2
15 13 11 8 7 5 2
1718.790000000000 303.335000000000 120.409000000000 44.957100000000 25.106200000000 14.301900000000 7.786340000000 4.933630000000 2.905030000000 1.645310000000 0.764005000000 0.420111000000 0.212795000000 0.114612000000 0.052933000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
525.369000000000 167.582000000000 65.147500000000 27.130300000000 16.142200000000 10.127800000000 4.824570000000 2.412490000000 1.373890000000 0.497337000000 0.209811000000 0.124726000000 0.068302900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
98.809000000000 35.283600000000 20.607100000000 12.072600000000 4.611740000000 1.944280000000 1.065720000000 0.445616000000 0.228885000000 0.129902000000 0.068930800000
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
43.648300000000 15.112100000000 6.537370000000 4.021860000000 1.888980000000 1.085010000000 0.497733000000 0.188860000000
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
17.879400000000 7.937760000000 5.295980000000 2.451110000000 1.275100000000 0.778064000000 0.336237000000
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
9.300000000000 4.939470000000 2.197610000000 0.965948000000 0.426254000000
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
5.541120000000 1.708820000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mn:def2-SVPD-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
10 10 7 4 3 2
10 10 7 4 3 2
25.156100000000 11.829100000000 5.221150000000 2.383710000000 1.378910000000 0.679085000000 0.292537000000 0.142250000000 0.070940000000 0.035768100000
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
54.368200000000 18.587100000000 9.293590000000 3.271890000000 1.703610000000 0.686760000000 0.343330000000 0.171676000000 0.087873200000 0.041598200000
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
24.610500000000 9.478600000000 5.451560000000 2.111250000000 0.914517000000 0.414559000000 0.352793000000
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
4.872870000000 2.162960000000 1.031120000000 0.493268000000
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
8.606160000000 2.693370000000 0.780561000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.696820000000 2.079400000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mn:def2-TZVPD-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
10 9 9 6 5 2
12 10 9 6 5 2
99.367910000000 43.169587000000 19.542687000000 9.187503000000 4.468372000000 2.238593000000 1.149809000000 0.602402000000 0.320186000000 0.171679000000 0.092322000000 0.035339900000
-0.469109320000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.223254180000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.161586650000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
155.397820000000 41.596456000000 13.623422000000 3.687856260000 1.342667290000 0.784319780000 0.414501980000 0.217103950000 0.099175320000 0.023239800000
-0.534167080000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.558875390000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.130305710000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.913675510000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 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
72.725800000000 19.303500000000 5.449270000000 2.996820000000 1.617970000000 0.723589000000 0.378969000000 0.144111000000 0.041854700000
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
40.630800000000 6.914500000000 3.663120000000 1.777060000000 0.989248000000 0.379360000000
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
12.400400000000 3.969800000000 1.975120000000 0.745335000000 0.312895000000
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
4.635020000000 2.144680000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mn:def2-TZVPPD-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
10 10 9 7 5 3 1
10 10 9 7 5 3 1
19.542700000000 9.187500000000 4.468370000000 2.238590000000 1.149810000000 0.602402000000 0.320186000000 0.171679000000 0.092322000000 0.035339900000
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
35.585400000000 12.609400000000 3.687860000000 1.342670000000 0.784320000000 0.414502000000 0.217104000000 0.117132000000 0.060397600000 0.023239800000
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
76.699000000000 16.199200000000 6.210780000000 3.187690000000 1.636000000000 0.732108000000 0.362784000000 0.144149000000 0.041854700000
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
39.167200000000 9.612230000000 4.621070000000 2.085930000000 0.972723000000 0.525391000000 0.219820000000
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
13.446900000000 4.740740000000 2.287370000000 1.171670000000 0.563298000000
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
7.886700000000 3.124020000000 1.342450000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.116590000000
1.000000000000
Mn:def2-QZVPPD-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
15 13 11 8 7 5 2
15 13 11 8 7 5 2
1718.790000000000 303.335000000000 120.409000000000 44.957100000000 25.106200000000 14.301900000000 7.786340000000 4.933630000000 2.905030000000 1.645310000000 0.764005000000 0.420111000000 0.212795000000 0.114612000000 0.052933000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
525.369000000000 167.582000000000 65.147500000000 27.130300000000 16.142200000000 10.127800000000 4.824570000000 2.412490000000 1.373890000000 0.497337000000 0.209811000000 0.124726000000 0.068302900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
98.809000000000 35.283600000000 20.607100000000 12.072600000000 4.611740000000 1.944280000000 1.065720000000 0.445616000000 0.228885000000 0.129902000000 0.068930800000
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
43.648300000000 15.112100000000 6.537370000000 4.021860000000 1.888980000000 1.085010000000 0.497733000000 0.188860000000
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
17.879400000000 7.937760000000 5.295980000000 2.451110000000 1.275100000000 0.778064000000 0.336237000000
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
9.300000000000 4.939470000000 2.197610000000 0.965948000000 0.426254000000
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
5.541120000000 1.708820000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mn:def2-QZVPP-RI-JK
Weigend's Coulomb/exchange fitting basis set
7
0 1 2 3 4 5 6
16 13 11 9 5 3 1
19 14 12 10 7 3 1
9788.486610800001 4008.755769600000 1707.346763900000 755.530222000000 346.996743700000 165.191763700000 81.395927300000 41.442134000000 21.761540900000 11.760767100000 6.526461700000 3.709562000000 2.153719800000 1.273546200000 0.764649300000 0.464655600000 0.284818600000 0.175502100000 0.108332200000
0.136600233000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.163340080800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.529385905600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.821225278100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1463.014520500000 602.833827800000 255.915960900000 111.729745500000 50.067349400000 22.978402400000 10.775912200000 5.150801500000 2.502839100000 1.232875500000 0.613865100000 0.308028900000 0.155289300000 0.078409900000
0.394139878700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.919050464400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
369.609188900000 151.250245700000 64.206540500000 28.198648800000 12.774280500000 5.949170200000 2.837960000000 1.381274700000 0.683065500000 0.341702000000 0.172132300000 0.086914400000
0.278842576800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.960336825000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 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
106.386259900000 37.807641300000 16.171535700000 7.230671500000 3.417040100000 1.604525300000 0.707334800000 0.385763400000 0.193989500000 0.099919500000
0.282258558000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.959338369100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
42.507457800000 17.173096300000 7.729777400000 3.609022000000 1.723427900000 0.870567300000 0.439310900000
0.081593185200 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.332776315600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.688551388000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.639139626400 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
8.001252879600 2.600719176400 0.847344770000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.560344246800
1.000000000000
Mn:def2-QZVPP-RI-J
Weigend's Coulomb fitting basis set
5
0 1 2 3 4
8 5 5 2 3
19 5 5 3 3
17733.224645999999 3609.449044200000 1299.656331100000 749.439973700000 440.847031000000 254.212117000000 89.730713200000 52.782771000000 31.672766000000 17.904062300000 10.743490000000 6.319699800000 3.792191500000 2.230700800000 1.260976300000 0.741750700000 0.267082600000 0.154011800000 0.090595200000
2.029253000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
7.903152100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
12.765795400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
10.333989300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
14.066447900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
8.796652400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-2.008613200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
2.326154300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
13.165929500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
10.109807700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-2.427817700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-2.160952100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 2.064342100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 3.364665400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.117110400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.296651700000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.093242700000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.025614000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.034578600000
2.719927500000 1.174373300000 0.506876200000 0.218728700000 0.094379800000
-0.016921000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.047825700000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.027524600000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.010427300000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.014933400000
11.522500100000 3.779304900000 1.252863200000 0.418018200000 0.139773200000
-0.003738900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.020412600000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.015339300000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.002728000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.005912400000
6.964652200000 2.417092200000 0.841578900000
-0.002412000000 0.000000000000
-0.004921900000 0.000000000000
0.000000000000 0.002907500000
5.936615200000 1.431216000000 0.346519200000
0.001590400000 0.000000000000 0.000000000000
0.000000000000 -0.001282100000 0.000000000000
0.000000000000 0.000000000000 0.000050500000
Mn:LANL2DZ-ECP-10
LANL2DZ ECP
*
NCORE = 10 LMAX =2
d-ul
-10.000000000000 1 357.391446900000
-60.299028700000 2 64.647738900000
-10.421783400000 2 16.096083300000
s-ul
3.000000000000 0 107.412721500000
16.259181900000 1 111.495897300000
276.937392800000 2 46.556834600000
241.317434200000 2 8.368813500000
-146.463532900000 2 7.723748900000
p-ul
5.000000000000 0 80.041510300000
5.758975600000 1 105.604364600000
285.291865400000 2 40.830046600000
143.422264700000 2 8.009845700000
-88.703185100000 2 7.339092800000
*
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