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

2834 lines
306 KiB
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Mg:cc-pVDZ
Dunning's correlation consistent basis set
3
0 1 2
4 3 1
12 8 1
47390.000000000000 7108.000000000000 1618.000000000000 458.400000000000 149.300000000000 53.590000000000 20.700000000000 8.384000000000 2.542000000000 0.878700000000 0.107700000000 0.039990000000
0.000346020000 -0.000087784000 0.000016963000 0.000000000000
0.002680800000 -0.000674720000 0.000129860000 0.000000000000
0.013837000000 -0.003556000000 0.000688830000 0.000000000000
0.055177000000 -0.014215000000 0.002735300000 0.000000000000
0.169660000000 -0.047675000000 0.009312200000 0.000000000000
0.364700000000 -0.114890000000 0.022326000000 0.000000000000
0.406860000000 -0.200680000000 0.041120000000 0.000000000000
0.135090000000 -0.034122000000 0.005456400000 0.000000000000
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0.000026459000 0.021813000000 0.605860000000 0.000000000000
-0.000011271000 -0.008277000000 0.509450000000 1.000000000000
179.900000000000 42.140000000000 13.130000000000 4.628000000000 1.670000000000 0.585700000000 0.131100000000 0.041120000000
0.005381600000 -0.000865950000 0.000000000000
0.039242000000 -0.006159800000 0.000000000000
0.157440000000 -0.026152000000 0.000000000000
0.358540000000 -0.057065000000 0.000000000000
0.457230000000 -0.087391000000 0.000000000000
0.215920000000 -0.012299000000 0.000000000000
0.006649500000 0.502080000000 0.000000000000
-0.000125300000 0.597240000000 1.000000000000
0.187000000000
1.000000000000
Mg:cc-pVTZ
Dunning's correlation consistent basis set
4
0 1 2 3
5 4 2 1
15 10 2 1
164900.000000000000 24710.000000000000 5628.000000000000 1596.000000000000 521.000000000000 188.000000000000 73.010000000000 29.900000000000 12.540000000000 4.306000000000 1.826000000000 0.741700000000 0.145700000000 0.076120000000 0.033100000000
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0.252000000000
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Mg:cc-pVQZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
6 5 3 2 1
16 12 3 2 1
327600.000000000000 49050.000000000000 11150.000000000000 3152.000000000000 1025.000000000000 368.800000000000 143.200000000000 58.960000000000 25.400000000000 11.150000000000 4.004000000000 1.701000000000 0.706000000000 0.141000000000 0.068080000000 0.030630000000
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0.181000000000 0.359000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.307000000000
1.000000000000
Mg:cc-pV5Z
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
7 6 4 3 2 1
20 14 4 3 2 1
2968000.000000000000 444300.000000000000 101100.000000000000 28640.000000000000 9343.000000000000 3373.000000000000 1316.000000000000 545.800000000000 238.100000000000 108.200000000000 50.800000000000 24.480000000000 11.930000000000 5.543000000000 2.675000000000 1.263000000000 0.588300000000 0.149600000000 0.067000000000 0.029520000000
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1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.375000000000
1.000000000000
Mg:cc-pCVDZ
Dunning's correlation consistent basis set
3
0 1 2
5 4 2
13 9 2
47390.000000000000 7108.000000000000 1618.000000000000 458.400000000000 149.300000000000 53.590000000000 20.700000000000 8.384000000000 2.542000000000 0.878700000000 0.107700000000 0.039990000000 3.422000000000
0.000346020000 -0.000087784000 0.000016963000 0.000000000000 0.000000000000
0.002680800000 -0.000674720000 0.000129860000 0.000000000000 0.000000000000
0.013837000000 -0.003556000000 0.000688830000 0.000000000000 0.000000000000
0.055177000000 -0.014215000000 0.002735300000 0.000000000000 0.000000000000
0.169660000000 -0.047675000000 0.009312200000 0.000000000000 0.000000000000
0.364700000000 -0.114890000000 0.022326000000 0.000000000000 0.000000000000
0.406860000000 -0.200680000000 0.041120000000 0.000000000000 0.000000000000
0.135090000000 -0.034122000000 0.005456400000 0.000000000000 0.000000000000
0.004908800000 0.570450000000 -0.134010000000 0.000000000000 0.000000000000
0.000286460000 0.542310000000 -0.256180000000 0.000000000000 0.000000000000
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179.900000000000 42.140000000000 13.130000000000 4.628000000000 1.670000000000 0.585700000000 0.131100000000 0.041120000000 8.279000000000
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0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.187000000000 3.704000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mg:cc-pCVTZ
Dunning's correlation consistent basis set
4
0 1 2 3
7 6 4 2
17 12 4 2
164900.000000000000 24710.000000000000 5628.000000000000 1596.000000000000 521.000000000000 188.000000000000 73.010000000000 29.900000000000 12.540000000000 4.306000000000 1.826000000000 0.741700000000 0.145700000000 0.076120000000 0.033100000000 17.516000000000 3.870000000000
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0.252000000000 4.530000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mg:cc-pCVQZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
9 8 6 4 2
19 15 6 4 2
327600.000000000000 49050.000000000000 11150.000000000000 3152.000000000000 1025.000000000000 368.800000000000 143.200000000000 58.960000000000 25.400000000000 11.150000000000 4.004000000000 1.701000000000 0.706000000000 0.141000000000 0.068080000000 0.030630000000 23.243000000000 9.561000000000 3.933000000000
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0.106000000000 0.194400000000 0.357000000000 12.533000000000 4.677000000000 1.745000000000
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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
0.181000000000 0.359000000000 7.876000000000 2.805000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.307000000000 5.394000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mg:cc-pCV5Z
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
11 10 8 6 4 2
24 18 8 6 4 2
2968000.000000000000 444300.000000000000 101100.000000000000 28640.000000000000 9343.000000000000 3373.000000000000 1316.000000000000 545.800000000000 238.100000000000 108.200000000000 50.800000000000 24.480000000000 11.930000000000 5.543000000000 2.675000000000 1.263000000000 0.588300000000 0.149600000000 0.067000000000 0.029520000000 14.396000000000 8.129000000000 4.590000000000 2.592000000000
0.000001971800 -0.000000498160 0.000000096018 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000015336000 -0.000003875600 0.000000746160 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000080685000 -0.000020385000 0.000003931200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000340770000 -0.000086166000 0.000016581000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001241900000 -0.000314180000 0.000060626000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004041200000 -0.001025800000 0.000197320000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.011980000000 -0.003058200000 0.000590880000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.032425000000 -0.008410600000 0.001619000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.078933000000 -0.021120000000 0.004097600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.166580000000 -0.047688000000 0.009229900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.282870000000 -0.092412000000 0.018217000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.331890000000 -0.142550000000 0.028288000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.203290000000 -0.126170000000 0.026506000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.038290000000 0.071528000000 -0.017205000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000308920000 0.383040000000 -0.088592000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001389100000 0.490130000000 -0.163870000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000136160000 0.204380000000 -0.159510000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000085532000 0.007022300000 0.321720000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000056910000 -0.002678700000 0.591370000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000017726000 0.000693690000 0.236870000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1441.000000000000 341.400000000000 110.700000000000 41.970000000000 17.490000000000 7.753000000000 3.534000000000 1.614000000000 0.729900000000 0.302900000000 0.158300000000 0.081900000000 0.041230000000 0.019880000000 67.773000000000 24.887000000000 9.139000000000 3.356000000000
0.000152410000 -0.000024103000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001327600000 -0.000210810000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007219400000 -0.001145300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.028520000000 -0.004564200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.086535000000 -0.013960000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.194950000000 -0.032110000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.312050000000 -0.051622000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.348480000000 -0.061371000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.218890000000 -0.044246000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.043558000000 0.052319000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.003737500000 0.221690000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003051200000 0.395260000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000866920000 0.364080000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000230520000 0.097795000000 0.000000000000 0.000000000000 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
0.110000000000 0.242000000000 0.532000000000 1.171000000000 24.823000000000 11.820000000000 5.629000000000 2.303000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.155000000000 0.264000000000 0.448000000000 13.000000000000 5.471000000000 2.303000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.240000000000 0.444000000000 9.389000000000 3.530000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.375000000000 6.721000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mg:aug-cc-pVDZ
Dunning's correlation consistent basis set
3
0 1 2
5 4 2
13 9 2
47390.000000000000 7108.000000000000 1618.000000000000 458.400000000000 149.300000000000 53.590000000000 20.700000000000 8.384000000000 2.542000000000 0.878700000000 0.107700000000 0.039990000000 0.014880000000
0.000346020000 -0.000087784000 0.000016963000 0.000000000000 0.000000000000
0.002680800000 -0.000674720000 0.000129860000 0.000000000000 0.000000000000
0.013837000000 -0.003556000000 0.000688830000 0.000000000000 0.000000000000
0.055177000000 -0.014215000000 0.002735300000 0.000000000000 0.000000000000
0.169660000000 -0.047675000000 0.009312200000 0.000000000000 0.000000000000
0.364700000000 -0.114890000000 0.022326000000 0.000000000000 0.000000000000
0.406860000000 -0.200680000000 0.041120000000 0.000000000000 0.000000000000
0.135090000000 -0.034122000000 0.005456400000 0.000000000000 0.000000000000
0.004908800000 0.570450000000 -0.134010000000 0.000000000000 0.000000000000
0.000286460000 0.542310000000 -0.256180000000 0.000000000000 0.000000000000
0.000026459000 0.021813000000 0.605860000000 0.000000000000 0.000000000000
-0.000011271000 -0.008277000000 0.509450000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
179.900000000000 42.140000000000 13.130000000000 4.628000000000 1.670000000000 0.585700000000 0.131100000000 0.041120000000 0.009350000000
0.005381600000 -0.000865950000 0.000000000000 0.000000000000
0.039242000000 -0.006159800000 0.000000000000 0.000000000000
0.157440000000 -0.026152000000 0.000000000000 0.000000000000
0.358540000000 -0.057065000000 0.000000000000 0.000000000000
0.457230000000 -0.087391000000 0.000000000000 0.000000000000
0.215920000000 -0.012299000000 0.000000000000 0.000000000000
0.006649500000 0.502080000000 0.000000000000 0.000000000000
-0.000125300000 0.597240000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.187000000000 0.059500000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mg:aug-cc-pVTZ
Dunning's correlation consistent basis set
4
0 1 2 3
6 5 3 2
16 11 3 2
164900.000000000000 24710.000000000000 5628.000000000000 1596.000000000000 521.000000000000 188.000000000000 73.010000000000 29.900000000000 12.540000000000 4.306000000000 1.826000000000 0.741700000000 0.145700000000 0.076120000000 0.033100000000 0.012900000000
0.000072993000 -0.000018425000 0.000003551800 0.000000000000 0.000000000000 0.000000000000
0.000566650000 -0.000143500000 0.000027642000 0.000000000000 0.000000000000 0.000000000000
0.002962700000 -0.000748710000 0.000144400000 0.000000000000 0.000000000000 0.000000000000
0.012296000000 -0.003144100000 0.000605740000 0.000000000000 0.000000000000 0.000000000000
0.042732000000 -0.011048000000 0.002135300000 0.000000000000 0.000000000000 0.000000000000
0.123010000000 -0.033606000000 0.006499300000 0.000000000000 0.000000000000 0.000000000000
0.274830000000 -0.082595000000 0.016145000000 0.000000000000 0.000000000000 0.000000000000
0.401820000000 -0.159310000000 0.031577000000 0.000000000000 0.000000000000 0.000000000000
0.264700000000 -0.152890000000 0.031637000000 0.000000000000 0.000000000000 0.000000000000
0.033261000000 0.190850000000 -0.043914000000 0.000000000000 0.000000000000 0.000000000000
-0.004413400000 0.579960000000 -0.151090000000 0.000000000000 0.000000000000 0.000000000000
0.002060200000 0.372030000000 -0.217670000000 0.000000000000 0.000000000000 0.000000000000
-0.000838470000 0.021169000000 0.259810000000 1.000000000000 0.000000000000 0.000000000000
0.000708200000 -0.011934000000 0.547240000000 0.000000000000 0.000000000000 0.000000000000
-0.000200600000 0.002773300000 0.325910000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
316.900000000000 74.860000000000 23.720000000000 8.669000000000 3.363000000000 1.310000000000 0.491100000000 0.236400000000 0.087330000000 0.032370000000 0.007450000000
0.002075300000 -0.000329730000 0.000000000000 0.000000000000 0.000000000000
0.016287000000 -0.002587500000 0.000000000000 0.000000000000 0.000000000000
0.073870000000 -0.011912000000 0.000000000000 0.000000000000 0.000000000000
0.214300000000 -0.035023000000 0.000000000000 0.000000000000 0.000000000000
0.382150000000 -0.063997000000 0.000000000000 0.000000000000 0.000000000000
0.398180000000 -0.070444000000 0.000000000000 0.000000000000 0.000000000000
0.152880000000 -0.037584000000 0.000000000000 0.000000000000 0.000000000000
-0.004375400000 0.177040000000 0.000000000000 0.000000000000 0.000000000000
0.006295800000 0.566710000000 1.000000000000 0.000000000000 0.000000000000
-0.001567700000 0.396140000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.126000000000 0.294000000000 0.046800000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.252000000000 0.094000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mg:aug-cc-pVQZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
7 6 4 3 2
17 13 4 3 2
327600.000000000000 49050.000000000000 11150.000000000000 3152.000000000000 1025.000000000000 368.800000000000 143.200000000000 58.960000000000 25.400000000000 11.150000000000 4.004000000000 1.701000000000 0.706000000000 0.141000000000 0.068080000000 0.030630000000 0.012390000000
0.000030961000 -0.000007831700 0.000001509100 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000240950000 -0.000060794000 0.000011713000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001266600000 -0.000321200000 0.000061898000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005333600000 -0.001349600000 0.000260090000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019077000000 -0.004905700000 0.000946220000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.058806000000 -0.015356000000 0.002966000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.151450000000 -0.042341000000 0.008212400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.300720000000 -0.094060000000 0.018398000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.381150000000 -0.163420000000 0.032666000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.213580000000 -0.124750000000 0.025732000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.023121000000 0.235620000000 -0.053535000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.002307600000 0.577560000000 -0.156900000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001289000000 0.335230000000 -0.206660000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000426390000 0.015634000000 0.324300000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000354320000 -0.008378000000 0.552610000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
-0.000112590000 0.002230600000 0.260350000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
539.600000000000 127.900000000000 41.020000000000 15.250000000000 6.166000000000 2.561000000000 1.060000000000 0.417600000000 0.269000000000 0.122300000000 0.054760000000 0.023880000000 0.007060000000
0.000833970000 -0.000132080000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.006892200000 -0.001095400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.033787000000 -0.005395000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.114400000000 -0.018557000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.259510000000 -0.042738000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.385100000000 -0.064768000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.335370000000 -0.062782000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.110640000000 -0.024491000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.012132000000 0.104760000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007005600000 0.358910000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.001513400000 0.492500000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000448920000 0.185280000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.106000000000 0.194400000000 0.357000000000 0.038200000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.181000000000 0.359000000000 0.070000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.307000000000 0.148000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mg:aug-cc-pCVDZ
Dunning's correlation consistent basis set
3
0 1 2
6 5 3
14 10 3
47390.000000000000 7108.000000000000 1618.000000000000 458.400000000000 149.300000000000 53.590000000000 20.700000000000 8.384000000000 2.542000000000 0.878700000000 0.107700000000 0.039990000000 3.422000000000 0.014880000000
0.000346020000 -0.000087784000 0.000016963000 0.000000000000 0.000000000000 0.000000000000
0.002680800000 -0.000674720000 0.000129860000 0.000000000000 0.000000000000 0.000000000000
0.013837000000 -0.003556000000 0.000688830000 0.000000000000 0.000000000000 0.000000000000
0.055177000000 -0.014215000000 0.002735300000 0.000000000000 0.000000000000 0.000000000000
0.169660000000 -0.047675000000 0.009312200000 0.000000000000 0.000000000000 0.000000000000
0.364700000000 -0.114890000000 0.022326000000 0.000000000000 0.000000000000 0.000000000000
0.406860000000 -0.200680000000 0.041120000000 0.000000000000 0.000000000000 0.000000000000
0.135090000000 -0.034122000000 0.005456400000 0.000000000000 0.000000000000 0.000000000000
0.004908800000 0.570450000000 -0.134010000000 0.000000000000 0.000000000000 0.000000000000
0.000286460000 0.542310000000 -0.256180000000 0.000000000000 0.000000000000 0.000000000000
0.000026459000 0.021813000000 0.605860000000 0.000000000000 0.000000000000 0.000000000000
-0.000011271000 -0.008277000000 0.509450000000 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
179.900000000000 42.140000000000 13.130000000000 4.628000000000 1.670000000000 0.585700000000 0.131100000000 0.041120000000 8.279000000000 0.009350000000
0.005381600000 -0.000865950000 0.000000000000 0.000000000000 0.000000000000
0.039242000000 -0.006159800000 0.000000000000 0.000000000000 0.000000000000
0.157440000000 -0.026152000000 0.000000000000 0.000000000000 0.000000000000
0.358540000000 -0.057065000000 0.000000000000 0.000000000000 0.000000000000
0.457230000000 -0.087391000000 0.000000000000 0.000000000000 0.000000000000
0.215920000000 -0.012299000000 0.000000000000 0.000000000000 0.000000000000
0.006649500000 0.502080000000 0.000000000000 0.000000000000 0.000000000000
-0.000125300000 0.597240000000 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
0.187000000000 3.704000000000 0.059500000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mg:aug-cc-pCVTZ
Dunning's correlation consistent basis set
4
0 1 2 3
8 7 5 3
18 13 5 3
164900.000000000000 24710.000000000000 5628.000000000000 1596.000000000000 521.000000000000 188.000000000000 73.010000000000 29.900000000000 12.540000000000 4.306000000000 1.826000000000 0.741700000000 0.145700000000 0.076120000000 0.033100000000 17.516000000000 3.870000000000 0.012900000000
0.000072993000 -0.000018425000 0.000003551800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000566650000 -0.000143500000 0.000027642000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002962700000 -0.000748710000 0.000144400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.012296000000 -0.003144100000 0.000605740000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.042732000000 -0.011048000000 0.002135300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.123010000000 -0.033606000000 0.006499300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.274830000000 -0.082595000000 0.016145000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.401820000000 -0.159310000000 0.031577000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.264700000000 -0.152890000000 0.031637000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.033261000000 0.190850000000 -0.043914000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.004413400000 0.579960000000 -0.151090000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002060200000 0.372030000000 -0.217670000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000838470000 0.021169000000 0.259810000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000708200000 -0.011934000000 0.547240000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000200600000 0.002773300000 0.325910000000 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
316.900000000000 74.860000000000 23.720000000000 8.669000000000 3.363000000000 1.310000000000 0.491100000000 0.236400000000 0.087330000000 0.032370000000 20.297000000000 5.105000000000 0.007450000000
0.002075300000 -0.000329730000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.016287000000 -0.002587500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.073870000000 -0.011912000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.214300000000 -0.035023000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.382150000000 -0.063997000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.398180000000 -0.070444000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.152880000000 -0.037584000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.004375400000 0.177040000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.006295800000 0.566710000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.001567700000 0.396140000000 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
0.126000000000 0.294000000000 7.029000000000 2.121000000000 0.046800000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.252000000000 4.530000000000 0.094000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mg:aug-cc-pCVQZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
10 9 7 5 3
20 16 7 5 3
327600.000000000000 49050.000000000000 11150.000000000000 3152.000000000000 1025.000000000000 368.800000000000 143.200000000000 58.960000000000 25.400000000000 11.150000000000 4.004000000000 1.701000000000 0.706000000000 0.141000000000 0.068080000000 0.030630000000 23.243000000000 9.561000000000 3.933000000000 0.012390000000
0.000030961000 -0.000007831700 0.000001509100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000240950000 -0.000060794000 0.000011713000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001266600000 -0.000321200000 0.000061898000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005333600000 -0.001349600000 0.000260090000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019077000000 -0.004905700000 0.000946220000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.058806000000 -0.015356000000 0.002966000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.151450000000 -0.042341000000 0.008212400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.300720000000 -0.094060000000 0.018398000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.381150000000 -0.163420000000 0.032666000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.213580000000 -0.124750000000 0.025732000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.023121000000 0.235620000000 -0.053535000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.002307600000 0.577560000000 -0.156900000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001289000000 0.335230000000 -0.206660000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000426390000 0.015634000000 0.324300000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000354320000 -0.008378000000 0.552610000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000112590000 0.002230600000 0.260350000000 0.000000000000 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
539.600000000000 127.900000000000 41.020000000000 15.250000000000 6.166000000000 2.561000000000 1.060000000000 0.417600000000 0.269000000000 0.122300000000 0.054760000000 0.023880000000 39.536000000000 12.778000000000 4.130000000000 0.007060000000
0.000833970000 -0.000132080000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.006892200000 -0.001095400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.033787000000 -0.005395000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.114400000000 -0.018557000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.259510000000 -0.042738000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.385100000000 -0.064768000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.335370000000 -0.062782000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.110640000000 -0.024491000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.012132000000 0.104760000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007005600000 0.358910000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.001513400000 0.492500000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000448920000 0.185280000000 0.000000000000 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
0.106000000000 0.194400000000 0.357000000000 12.533000000000 4.677000000000 1.745000000000 0.038200000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.181000000000 0.359000000000 7.876000000000 2.805000000000 0.070000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.307000000000 5.394000000000 0.148000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mg:cc-pVDZ-F12
Peterson's F12 basis set
3
0 1 2
6 6 3
16 13 3
164900.000000000000 24710.000000000000 5628.000000000000 1596.000000000000 521.000000000000 188.000000000000 73.010000000000 29.900000000000 12.540000000000 4.306000000000 1.826000000000 0.741700000000 0.076120000000 0.145700000000 0.033100000000 0.012000000000
0.000073000000 -0.000018400000 0.000003600000 0.000000000000 0.000000000000 0.000000000000
0.000566700000 -0.000143500000 0.000027600000 0.000000000000 0.000000000000 0.000000000000
0.002962700000 -0.000748700000 0.000144400000 0.000000000000 0.000000000000 0.000000000000
0.012296200000 -0.003144100000 0.000605700000 0.000000000000 0.000000000000 0.000000000000
0.042732400000 -0.011048100000 0.002135300000 0.000000000000 0.000000000000 0.000000000000
0.123013000000 -0.033605800000 0.006499300000 0.000000000000 0.000000000000 0.000000000000
0.274832000000 -0.082594600000 0.016144600000 0.000000000000 0.000000000000 0.000000000000
0.401818000000 -0.159314000000 0.031576600000 0.000000000000 0.000000000000 0.000000000000
0.264697000000 -0.152888000000 0.031637400000 0.000000000000 0.000000000000 0.000000000000
0.033261200000 0.190849000000 -0.043914000000 0.000000000000 0.000000000000 0.000000000000
-0.004413300000 0.579964000000 -0.151093000000 0.000000000000 0.000000000000 0.000000000000
0.002060200000 0.372029000000 -0.217668000000 0.000000000000 0.000000000000 0.000000000000
0.000708200000 -0.011934400000 0.547245000000 0.000000000000 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
316.900000000000 74.860000000000 23.720000000000 8.669000000000 3.363000000000 1.310000000000 0.491100000000 0.236400000000 0.087330000000 0.032370000000 0.009000000000 3.182039000000 0.171848000000
0.002075300000 -0.000329700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.016286900000 -0.002587500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.073869700000 -0.011912000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.214297000000 -0.035022700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.382154000000 -0.063996800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.398178000000 -0.070443600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.152878000000 -0.037583600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.004375400000 0.177043000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.006295800000 0.566707000000 0.000000000000 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
1.431308000000 0.199432000000 0.090937000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mg:cc-pVTZ-F12
Peterson's F12 basis set
4
0 1 2 3
7 7 4 2
17 14 4 2
327600.000000000000 49050.000000000000 11150.000000000000 3152.000000000000 1025.000000000000 368.800000000000 143.200000000000 58.960000000000 25.400000000000 11.150000000000 4.004000000000 1.701000000000 0.706000000000 0.141000000000 0.068080000000 0.030630000000 0.010900000000
0.000031000000 -0.000007800000 0.000001500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000241000000 -0.000060800000 0.000011700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001266600000 -0.000321200000 0.000061900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005333600000 -0.001349600000 0.000260100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019077000000 -0.004905700000 0.000946200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.058805800000 -0.015356100000 0.002966000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.151454000000 -0.042340900000 0.008212500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.300716000000 -0.094060300000 0.018397700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.381149000000 -0.163425000000 0.032665700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.213584000000 -0.124754000000 0.025731500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.023121000000 0.235623000000 -0.053535100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.002307600000 0.577563000000 -0.156895000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001289000000 0.335232000000 -0.206659000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
539.600000000000 127.900000000000 41.020000000000 15.250000000000 6.166000000000 2.561000000000 1.060000000000 0.417600000000 0.269000000000 0.122300000000 0.054760000000 0.023880000000 0.008100000000 2.812615000000
0.000834000000 -0.000132100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.006892200000 -0.001095400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.033787400000 -0.005395000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.114401000000 -0.018557200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.259514000000 -0.042737500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.385095000000 -0.064768400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.335373000000 -0.062781800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.110641000000 -0.024491200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.012131500000 0.104761000000 0.000000000000 0.000000000000 0.000000000000 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
1.837506000000 0.288307000000 0.151085000000 0.077449000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.225791000000 0.109140000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mg:cc-pVQZ-F12
Peterson's F12 basis set
5
0 1 2 3 4
8 8 5 3 2
21 15 5 3 2
2968000.000000000000 444300.000000000000 101100.000000000000 28640.000000000000 9343.000000000000 3373.000000000000 1316.000000000000 545.800000000000 238.100000000000 108.200000000000 50.800000000000 24.480000000000 11.930000000000 5.543000000000 2.675000000000 1.263000000000 0.588300000000 0.149600000000 0.067000000000 0.029520000000 0.010800000000
0.000002000000 -0.000000500000 0.000000100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000015300000 -0.000003900000 0.000000700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000080700000 -0.000020400000 0.000003900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000340800000 -0.000086200000 0.000016600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001241900000 -0.000314200000 0.000060600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004041200000 -0.001025800000 0.000197300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.011979700000 -0.003058200000 0.000590900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.032425300000 -0.008410600000 0.001619000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.078933200000 -0.021120200000 0.004097600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.166575000000 -0.047688200000 0.009229900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.282871000000 -0.092411900000 0.018216800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.331890000000 -0.142548000000 0.028288400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.203287000000 -0.126168000000 0.026505900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.038289700000 0.071528200000 -0.017205300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000308900000 0.383039000000 -0.088591700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001389100000 0.490133000000 -0.163871000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
1441.000000000000 341.400000000000 110.700000000000 41.970000000000 17.490000000000 7.753000000000 3.534000000000 1.614000000000 0.729900000000 0.302900000000 0.158300000000 0.081900000000 0.041230000000 0.019880000000 0.007100000000
0.000152400000 -0.000024100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001327600000 -0.000210800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007219400000 -0.001145300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.028520500000 -0.004564200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.086534600000 -0.013960300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.194950000000 -0.032110500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.312051000000 -0.051621700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.348476000000 -0.061371300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.218886000000 -0.044246500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
2.043044000000 0.356152000000 0.204072000000 0.116932000000 0.067001000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.332321000000 0.178223000000 0.094316000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.267541000000 0.134147000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mg:STO-3G
Pople's Gaussian basis set
2
0 1
3 2
9 6
299.237413700000 54.506468400000 14.751577500000 15.121823500000 3.513986600000 1.142857500000 1.395448300000 0.389326500000 0.152379800000
0.154329000000 0.000000000000 0.000000000000
0.535328100000 0.000000000000 0.000000000000
0.444634500000 0.000000000000 0.000000000000
0.000000000000 -0.099967200000 0.000000000000
0.000000000000 0.399512800000 0.000000000000
0.000000000000 0.700115500000 0.000000000000
0.000000000000 0.000000000000 -0.219620400000
0.000000000000 0.000000000000 0.225595400000
0.000000000000 0.000000000000 0.900398400000
15.121823500000 3.513986600000 1.142857500000 1.395448300000 0.389326500000 0.152379800000
0.155916300000 0.000000000000
0.607683700000 0.000000000000
0.391957400000 0.000000000000
0.000000000000 0.010587600000
0.000000000000 0.595167000000
0.000000000000 0.462001000000
Mg:3-21G
Pople's Gaussian basis set
2
0 1
4 3
9 6
652.841000000000 98.380500000000 21.299600000000 23.372700000000 5.199530000000 1.315080000000 0.611349000000 0.141841000000 0.046401100000
0.067598200000 0.000000000000 0.000000000000 0.000000000000
0.391778000000 0.000000000000 0.000000000000 0.000000000000
0.666661000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.110246000000 0.000000000000 0.000000000000
0.000000000000 0.184119000000 0.000000000000 0.000000000000
0.000000000000 0.896399000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.361101000000 0.000000000000
0.000000000000 0.000000000000 1.215050000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
23.372700000000 5.199530000000 1.315080000000 0.611349000000 0.141841000000 0.046401100000
0.121014000000 0.000000000000 0.000000000000
0.462810000000 0.000000000000 0.000000000000
0.606907000000 0.000000000000 0.000000000000
0.000000000000 0.024263300000 0.000000000000
0.000000000000 0.986673000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mg:6-31G
Pople's Gaussian basis set
2
0 1
4 3
16 10
11722.799999999999 1759.930000000000 400.846000000000 112.807000000000 35.999700000000 12.182800000000 189.180000000000 45.211900000000 14.356300000000 5.138860000000 1.906520000000 0.705887000000 0.929340000000 0.269035000000 0.117379000000 0.042106100000
0.001977800000 0.000000000000 0.000000000000 0.000000000000
0.015114000000 0.000000000000 0.000000000000 0.000000000000
0.073910800000 0.000000000000 0.000000000000 0.000000000000
0.249191000000 0.000000000000 0.000000000000 0.000000000000
0.487928000000 0.000000000000 0.000000000000 0.000000000000
0.319662000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.003237200000 0.000000000000 0.000000000000
0.000000000000 -0.041007900000 0.000000000000 0.000000000000
0.000000000000 -0.112600000000 0.000000000000 0.000000000000
0.000000000000 0.148633000000 0.000000000000 0.000000000000
0.000000000000 0.616497000000 0.000000000000 0.000000000000
0.000000000000 0.364829000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.212290000000 0.000000000000
0.000000000000 0.000000000000 -0.107985000000 0.000000000000
0.000000000000 0.000000000000 1.175840000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
189.180000000000 45.211900000000 14.356300000000 5.138860000000 1.906520000000 0.705887000000 0.929340000000 0.269035000000 0.117379000000 0.042106100000
0.004928100000 0.000000000000 0.000000000000
0.034988800000 0.000000000000 0.000000000000
0.140725000000 0.000000000000 0.000000000000
0.333642000000 0.000000000000 0.000000000000
0.444940000000 0.000000000000 0.000000000000
0.269254000000 0.000000000000 0.000000000000
0.000000000000 -0.022419200000 0.000000000000
0.000000000000 0.192271000000 0.000000000000
0.000000000000 0.846181000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mg:6-311G
Pople's Gaussian basis set
2
0 1
6 5
13 9
43866.500000000000 6605.370000000000 1513.260000000000 432.317000000000 142.149000000000 51.398300000000 51.398300000000 19.919600000000 8.024740000000 2.508170000000 0.871531000000 0.108188000000 0.040130000000
0.000918000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007047000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035941000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.141461000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.426764000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.497975000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.251355000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.618671000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.188417000000 0.000000000000 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
193.854000000000 45.442000000000 14.186400000000 5.057510000000 1.888610000000 0.722652000000 0.236417000000 0.093358000000 0.034809000000
0.010188000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.075360000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.307419000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.717575000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.667339000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.394649000000 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
Mg:6-31G*
Pople's Gaussian basis set
3
0 1 2
4 3 1
16 10 1
11722.799999999999 1759.930000000000 400.846000000000 112.807000000000 35.999700000000 12.182800000000 189.180000000000 45.211900000000 14.356300000000 5.138860000000 1.906520000000 0.705887000000 0.929340000000 0.269035000000 0.117379000000 0.042106100000
0.001977800000 0.000000000000 0.000000000000 0.000000000000
0.015114000000 0.000000000000 0.000000000000 0.000000000000
0.073910800000 0.000000000000 0.000000000000 0.000000000000
0.249191000000 0.000000000000 0.000000000000 0.000000000000
0.487928000000 0.000000000000 0.000000000000 0.000000000000
0.319662000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.003237200000 0.000000000000 0.000000000000
0.000000000000 -0.041007900000 0.000000000000 0.000000000000
0.000000000000 -0.112600000000 0.000000000000 0.000000000000
0.000000000000 0.148633000000 0.000000000000 0.000000000000
0.000000000000 0.616497000000 0.000000000000 0.000000000000
0.000000000000 0.364829000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.212290000000 0.000000000000
0.000000000000 0.000000000000 -0.107985000000 0.000000000000
0.000000000000 0.000000000000 1.175840000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
189.180000000000 45.211900000000 14.356300000000 5.138860000000 1.906520000000 0.705887000000 0.929340000000 0.269035000000 0.117379000000 0.042106100000
0.004928100000 0.000000000000 0.000000000000
0.034988800000 0.000000000000 0.000000000000
0.140725000000 0.000000000000 0.000000000000
0.333642000000 0.000000000000 0.000000000000
0.444940000000 0.000000000000 0.000000000000
0.269254000000 0.000000000000 0.000000000000
0.000000000000 -0.022419200000 0.000000000000
0.000000000000 0.192271000000 0.000000000000
0.000000000000 0.846181000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.175000000000
1.000000000000
Mg:6-311G*
Pople's Gaussian basis set
3
0 1 2
6 5 1
13 9 1
43866.500000000000 6605.370000000000 1513.260000000000 432.317000000000 142.149000000000 51.398300000000 51.398300000000 19.919600000000 8.024740000000 2.508170000000 0.871531000000 0.108188000000 0.040130000000
0.000918000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007047000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035941000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.141461000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.426764000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.497975000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.251355000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.618671000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.188417000000 0.000000000000 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
193.854000000000 45.442000000000 14.186400000000 5.057510000000 1.888610000000 0.722652000000 0.236417000000 0.093358000000 0.034809000000
0.010188000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.075360000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.307419000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.717575000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.667339000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.394649000000 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
0.175000000000
1.000000000000
Mg:6-31+G*
Pople's Gaussian basis set
3
0 1 2
5 4 1
17 11 1
11722.799999999999 1759.930000000000 400.846000000000 112.807000000000 35.999700000000 12.182800000000 189.180000000000 45.211900000000 14.356300000000 5.138860000000 1.906520000000 0.705887000000 0.929340000000 0.269035000000 0.117379000000 0.042106100000 0.014600000000
0.001977800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.015114000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.073911000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.249191000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.487928000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.319662000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.003237200000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.041008000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.112600000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.148633000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.616497000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.364829000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.212290000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.107985000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.175840000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
189.180000000000 45.211900000000 14.356300000000 5.138860000000 1.906520000000 0.705887000000 0.929340000000 0.269035000000 0.117379000000 0.042106100000 0.014600000000
0.004928100000 0.000000000000 0.000000000000 0.000000000000
0.034989000000 0.000000000000 0.000000000000 0.000000000000
0.140725000000 0.000000000000 0.000000000000 0.000000000000
0.333642000000 0.000000000000 0.000000000000 0.000000000000
0.444940000000 0.000000000000 0.000000000000 0.000000000000
0.269254000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.022419000000 0.000000000000 0.000000000000
0.000000000000 0.192270000000 0.000000000000 0.000000000000
0.000000000000 0.846181000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.175000000000
1.000000000000
Mg:6-311+G*
Pople's Gaussian basis set
3
0 1 2
7 6 1
14 10 1
43866.500000000000 6605.370000000000 1513.260000000000 432.317000000000 142.149000000000 51.398300000000 51.398300000000 19.919600000000 8.024740000000 2.508170000000 0.871531000000 0.108188000000 0.040130000000 0.014600000000
0.000918000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007047000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035941000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.141461000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.426764000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.497975000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.251355000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.618671000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.188417000000 0.000000000000 0.000000000000 0.000000000000 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
193.854000000000 45.442000000000 14.186400000000 5.057510000000 1.888610000000 0.722652000000 0.236417000000 0.093358000000 0.034809000000 0.014600000000
0.010188000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.075360000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.307419000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.717575000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.667339000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.394649000000 0.000000000000 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
0.175000000000
1.000000000000
Mg:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
4 3 1
10 7 1
4953.833919600000 745.180441540000 169.216049720000 47.300672019000 14.461336973000 24.768174789000 2.494094534900 0.878075845330 0.087212782497 0.033599293780
-0.005777896750 0.000000000000 0.000000000000 0.000000000000
-0.043124761082 0.000000000000 0.000000000000 0.000000000000
-0.192682169870 0.000000000000 0.000000000000 0.000000000000
-0.486414391160 0.000000000000 0.000000000000 0.000000000000
-0.425508940770 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.087956969984 0.000000000000 0.000000000000
0.000000000000 -0.551650581280 0.000000000000 0.000000000000
0.000000000000 -0.534432948330 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
98.053010494000 22.586932277000 6.839150984200 2.233284381800 0.716065993870 0.189147961950 0.053768755187
-0.014480564601 0.000000000000 0.000000000000
-0.095495750787 0.000000000000 0.000000000000
-0.307876726510 0.000000000000 0.000000000000
-0.499362928860 0.000000000000 0.000000000000
-0.315034762130 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.101000000000
1.000000000000
Mg:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
4 3 1
10 7 1
4953.833919600000 745.180441540000 169.216049720000 47.300672019000 14.461336973000 24.768174789000 2.494094534900 0.878075845330 0.087212782497 0.033599293780
-0.005777896750 0.000000000000 0.000000000000 0.000000000000
-0.043124761082 0.000000000000 0.000000000000 0.000000000000
-0.192682169870 0.000000000000 0.000000000000 0.000000000000
-0.486414391160 0.000000000000 0.000000000000 0.000000000000
-0.425508940770 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.087956969984 0.000000000000 0.000000000000
0.000000000000 -0.551650581280 0.000000000000 0.000000000000
0.000000000000 -0.534432948330 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
98.053010494000 22.586932277000 6.839150984200 2.233284381800 0.716065993870 0.189147961950 0.053768755187
-0.014480564601 0.000000000000 0.000000000000
-0.095495750787 0.000000000000 0.000000000000
-0.307876726510 0.000000000000 0.000000000000
-0.499362928860 0.000000000000 0.000000000000
-0.315034762130 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.101000000000
1.000000000000
Mg:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 4 3
14 8 3
31438.349555000001 4715.515335400000 1073.162924700000 303.572387680000 98.626251042000 34.943808417000 12.859785199000 64.876913004000 19.725520777000 2.895180433900 1.196045471000 0.543294511560 0.100991040920 0.036865728085
0.000609123113 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004706619646 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.024135820657 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.093628959834 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.266467420930 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.478909299170 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.336984902860 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.019180889307 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.090913704392 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.395637561250 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.682760337300 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.521410919540 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
179.871896120000 42.120069376000 13.120503032000 4.625750360900 1.669521101600 0.585510121050 0.189147961950 0.053768755187
0.005379954902 0.000000000000 0.000000000000 0.000000000000
0.039318014098 0.000000000000 0.000000000000 0.000000000000
0.157401294760 0.000000000000 0.000000000000 0.000000000000
0.359190941280 0.000000000000 0.000000000000 0.000000000000
0.455333793100 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.219864329100 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.444000000000 0.290000000000 0.070000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mg:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 4 3
14 8 3
31438.349555000001 4715.515335400000 1073.162924700000 303.572387680000 98.626251042000 34.943808417000 12.859785199000 64.876913004000 19.725520777000 2.895180433900 1.196045471000 0.543294511560 0.100991040920 0.036865728085
0.000609123113 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004706619646 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.024135820657 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.093628959834 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.266467420930 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.478909299170 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.336984902860 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.019180889307 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.090913704392 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.395637561250 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.682760337300 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.521410919540 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
179.871896120000 42.120069376000 13.120503032000 4.625750360900 1.669521101600 0.585510121050 0.189147961950 0.053768755187
0.005379954902 0.000000000000 0.000000000000 0.000000000000
0.039318014098 0.000000000000 0.000000000000 0.000000000000
0.157401294760 0.000000000000 0.000000000000 0.000000000000
0.359190941280 0.000000000000 0.000000000000 0.000000000000
0.455333793100 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.219864329100 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.444000000000 0.290000000000 0.070000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mg:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
9 5 4 1
20 12 4 1
605967.787529999972 90569.094691999999 20574.252843999999 5818.628486500000 1895.629607500000 683.459410210000 266.182197620000 110.112200100000 47.777041234000 21.542166149000 174.121363780000 53.484972498000 20.500213307000 9.805682692200 3.540298934800 1.545085004600 0.665401954320 0.143554390710 0.066624673468 0.029772648266
0.000014430177 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000112498718 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000592649725 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002498877042 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009023077514 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.028579919806 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.079064453923 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.182693378140 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.321571939670 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.350282593890 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.022931111278 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.191517775520 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.611557110550 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 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
893.204608290000 211.782582860000 68.443200537000 25.727265349000 10.606634281000 4.593412648400 2.010046980700 0.873848415360 0.356150766660 0.189959543560 0.074580135669 0.029221641309
0.000349582674 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002981189011 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.015517845758 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.057578659557 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.156103078530 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.292309125800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.372190240720 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.275780888910 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.810000000000 0.650000000000 0.200000000000 0.052000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.160000000000
1.000000000000
Mg:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
9 5 5 2
20 12 5 2
605967.787529999972 90569.094691999999 20574.252843999999 5818.628486500000 1895.629607500000 683.459410210000 266.182197620000 110.112200100000 47.777041234000 21.542166149000 174.121363780000 53.484972498000 20.500213307000 9.805682692200 3.540298934800 1.545085004600 0.665401954320 0.143554390710 0.066624673468 0.029772648266
0.000014430177 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000112498718 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000592649725 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002498877042 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009023077514 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.028579919806 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.079064453923 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.182693378140 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.321571939670 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.350282593890 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.022931111278 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.191517775520 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.611557110550 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 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
893.204608290000 211.782582860000 68.443200537000 25.727265349000 10.606634281000 4.593412648400 2.010046980700 0.873848415360 0.356150766660 0.189959543560 0.074580135669 0.029221641309
0.000349582674 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002981189011 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.015517845758 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.057578659557 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.156103078530 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.292309125800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.372190240720 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.275780888910 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
6.930000000000 2.100000000000 0.650000000000 0.200000000000 0.052000000000
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
5.600000000000 0.160000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mg:def2-SVPD
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
4 4 1
10 8 1
4953.833919600000 745.180441540000 169.216049720000 47.300672019000 14.461336973000 24.768174789000 2.494094534900 0.878075845330 0.087212782497 0.033599293780
-0.005777896750 0.000000000000 0.000000000000 0.000000000000
-0.043124761082 0.000000000000 0.000000000000 0.000000000000
-0.192682169870 0.000000000000 0.000000000000 0.000000000000
-0.486414391160 0.000000000000 0.000000000000 0.000000000000
-0.425508940770 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.087956969984 0.000000000000 0.000000000000
0.000000000000 -0.551650581280 0.000000000000 0.000000000000
0.000000000000 -0.534432948330 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
98.053010494000 22.586932277000 6.839150984200 2.233284381800 0.716065993870 0.189147961950 0.053768755187 0.023963578287
-0.014480564601 0.000000000000 0.000000000000 0.000000000000
-0.095495750787 0.000000000000 0.000000000000 0.000000000000
-0.307876726510 0.000000000000 0.000000000000 0.000000000000
-0.499362928860 0.000000000000 0.000000000000 0.000000000000
-0.315034762130 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.101000000000
1.000000000000
Mg:def2-TZVPD
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 5 3
14 9 3
31438.349555000001 4715.515335400000 1073.162924700000 303.572387680000 98.626251042000 34.943808417000 12.859785199000 64.876913004000 19.725520777000 2.895180433900 1.196045471000 0.543294511560 0.100991040920 0.036865728085
0.000609123113 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004706619646 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.024135820657 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.093628959834 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.266467420930 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.478909299170 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.336984902860 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.019180889307 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.090913704392 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.395637561250 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.682760337300 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.521410919540 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
179.871896120000 42.120069376000 13.120503032000 4.625750360900 1.669521101600 0.585510121050 0.189147961950 0.053768755187 0.024576992970
0.005379954902 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.039318014098 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.157401294760 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.359190941280 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.455333793100 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.219864329100 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.444000000000 0.290000000000 0.070000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mg:def2-TZVPPD
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 5 3
14 9 3
31438.349555000001 4715.515335400000 1073.162924700000 303.572387680000 98.626251042000 34.943808417000 12.859785199000 64.876913004000 19.725520777000 2.895180433900 1.196045471000 0.543294511560 0.100991040920 0.036865728085
0.000609123113 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004706619646 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.024135820657 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.093628959834 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.266467420930 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.478909299170 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.336984902860 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.019180889307 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.090913704392 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.395637561250 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.682760337300 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.521410919540 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
179.871896120000 42.120069376000 13.120503032000 4.625750360900 1.669521101600 0.585510121050 0.189147961950 0.053768755187 0.024576992970
0.005379954902 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.039318014098 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.157401294760 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.359190941280 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.455333793100 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.219864329100 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.444000000000 0.290000000000 0.070000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mg:def2-QZVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
9 5 4 1
20 12 4 1
605967.787529999972 90569.094691999999 20574.252843999999 5818.628486500000 1895.629607500000 683.459410210000 266.182197620000 110.112200100000 47.777041234000 21.542166149000 174.121363780000 53.484972498000 20.500213307000 9.805682692200 3.540298934800 1.545085004600 0.665401954320 0.143554390710 0.066624673468 0.029772648266
0.000014430177 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000112498718 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000592649725 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002498877042 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009023077514 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.028579919806 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.079064453923 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.182693378140 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.321571939670 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.350282593890 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.022931111278 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.191517775520 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.611557110550 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 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
893.204608290000 211.782582860000 68.443200537000 25.727265349000 10.606634281000 4.593412648400 2.010046980700 0.873848415360 0.356150766660 0.189959543560 0.074580135669 0.029221641309
0.000349582674 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002981189011 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.015517845758 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.057578659557 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.156103078530 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.292309125800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.372190240720 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.275780888910 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.810000000000 0.650000000000 0.200000000000 0.052000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.160000000000
1.000000000000
Mg:def2-QZVPPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
9 5 5 2
20 12 5 2
605967.787529999972 90569.094691999999 20574.252843999999 5818.628486500000 1895.629607500000 683.459410210000 266.182197620000 110.112200100000 47.777041234000 21.542166149000 174.121363780000 53.484972498000 20.500213307000 9.805682692200 3.540298934800 1.545085004600 0.665401954320 0.143554390710 0.066624673468 0.029772648266
0.000014430177 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000112498718 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000592649725 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002498877042 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009023077514 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.028579919806 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.079064453923 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.182693378140 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.321571939670 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.350282593890 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.022931111278 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.191517775520 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.611557110550 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 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
893.204608290000 211.782582860000 68.443200537000 25.727265349000 10.606634281000 4.593412648400 2.010046980700 0.873848415360 0.356150766660 0.189959543560 0.074580135669 0.029221641309
0.000349582674 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002981189011 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.015517845758 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.057578659557 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.156103078530 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.292309125800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.372190240720 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.275780888910 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
6.930000000000 2.100000000000 0.650000000000 0.200000000000 0.052000000000
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
5.600000000000 0.160000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mg:LANL2DZ
Hay and Wadt's LANL2DZ Gaussian basis set
2
0 1
2 2
3 3
0.725000000000 0.111200000000 0.040400000000
-0.405845400000 0.000000000000
1.168870400000 0.000000000000
0.000000000000 1.000000000000
1.240000000000 0.134600000000 0.042200000000
-0.074975300000 0.000000000000
1.017818300000 0.000000000000
0.000000000000 1.000000000000
Mg:cc-pVDZ-RI
Weigend's auxiliary basis set
4
0 1 2 3
9 7 5 3
9 7 5 3
200.427000000000 44.069300000000 11.944700000000 6.900590000000 2.307320000000 0.791420000000 0.442013000000 0.194707000000 0.083230300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
59.682500000000 9.006770000000 3.761000000000 1.176350000000 0.594066000000 0.210529000000 0.089535600000
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
22.399400000000 6.436830000000 1.181130000000 0.749498000000 0.259159000000
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
2.891000000000 0.928774000000 0.326783000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mg:cc-pVTZ-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
10 8 7 5 2
10 8 7 5 2
247.482000000000 82.306500000000 31.888200000000 12.362800000000 4.993410000000 1.707810000000 0.790449000000 0.275153000000 0.123443000000 0.077123300000
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
58.640200000000 7.176800000000 3.498730000000 1.518220000000 0.806848000000 0.326559000000 0.154720000000 0.072477400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
29.921200000000 9.113940000000 3.171490000000 1.488380000000 0.572001000000 0.392816000000 0.184720000000
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
4.609120000000 1.543470000000 0.644990000000 0.334225000000 0.174575000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.764550000000 0.717219000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mg:cc-pVQZ-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
11 9 8 6 3 1
11 9 8 6 3 1
265.858000000000 65.112300000000 23.504700000000 11.524700000000 4.823850000000 1.950430000000 0.740410000000 0.429062000000 0.228177000000 0.126216000000 0.066462000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
72.040500000000 45.366000000000 6.736730000000 2.257910000000 1.149910000000 0.348795000000 0.208905000000 0.106035000000 0.058846400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
35.244200000000 10.947300000000 3.997440000000 2.101850000000 1.008860000000 0.467248000000 0.268153000000 0.155964000000
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
5.883600000000 2.846580000000 1.318190000000 0.439446000000 0.257760000000 0.129503000000
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
2.675830000000 1.097110000000 0.384743000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.059800000000
1.000000000000
Mg:cc-pV5Z-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
12 11 9 7 5 3 1
12 11 9 7 5 3 1
540.416000000000 102.127000000000 43.111400000000 13.476700000000 7.375560000000 2.606800000000 1.298970000000 0.584075000000 0.330108000000 0.180505000000 0.119148000000 0.069144700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
123.479000000000 33.483200000000 12.336600000000 5.613380000000 2.423950000000 1.157890000000 0.531815000000 0.293408000000 0.194135000000 0.130156000000 0.084592500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
28.354200000000 8.248800000000 2.956150000000 1.287300000000 0.583460000000 0.344419000000 0.222430000000 0.151929000000 0.091250000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
6.950670000000 2.762140000000 1.250720000000 0.575997000000 0.334257000000 0.216355000000 0.126090000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.550100000000 1.072600000000 0.552581000000 0.308050000000 0.146581000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.512580000000 0.457920000000 0.292537000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.074570000000
1.000000000000
Mg:def2-SV(P)-RI
Weigend's auxiliary basis set
4
0 1 2 3
7 5 3 1
10 8 5 1
217.779401800000 76.520514580000 28.519738440000 11.710439990000 5.360094900000 2.127639720000 0.907850100000 0.374623510000 0.169666260000 0.082581060000
0.571124700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.436089800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -7.147065300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.633064500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.669692600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.586129400000 0.000000000000 0.000000000000 0.000000000000 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
50.481643010000 13.403445640000 5.530669400000 3.253334940000 1.154772780000 0.679278110000 0.267155330000 0.107841130000
-1.059006100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.683456100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.833046100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.177462600000 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
22.446251090000 7.663470612000 4.040950767000 0.986040734600 0.169245051900
1.937433100000 0.000000000000 0.000000000000
1.858715500000 0.000000000000 0.000000000000
0.524351800000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.973784070000
1.000000000000
Mg:def2-SVP-RI
Weigend's auxiliary basis set
4
0 1 2 3
7 5 3 1
10 8 5 1
217.779401800000 76.520514580000 28.519738440000 11.710439990000 5.360094900000 2.127639720000 0.907850100000 0.374623510000 0.169666260000 0.082581060000
0.571124700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.436089800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -7.147065300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.633064500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.669692600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.586129400000 0.000000000000 0.000000000000 0.000000000000 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
50.481643010000 13.403445640000 5.530669400000 3.253334940000 1.154772780000 0.679278110000 0.267155330000 0.107841130000
-1.059006100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.683456100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.833046100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.177462600000 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
22.446251090000 7.663470612000 4.040950767000 0.986040734600 0.169245051900
1.937433100000 0.000000000000 0.000000000000
1.858715500000 0.000000000000 0.000000000000
0.524351800000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.973784070000
1.000000000000
Mg:def2-TZVP-RI
Weigend's auxiliary basis set
4
0 1 2 3
10 8 6 4
10 8 6 4
217.780000000000 76.519800000000 28.519200000000 11.710500000000 5.360970000000 2.127840000000 0.907795000000 0.374607000000 0.169664000000 0.082582000000
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
51.340200000000 13.459500000000 5.560680000000 3.672480000000 1.347780000000 0.762616000000 0.266713000000 0.108417000000
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
21.853200000000 6.060060000000 3.398440000000 1.283820000000 0.372446000000 0.131873000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.719700000000 5.073790000000 1.213200000000 0.307075000000
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
Mg:def2-TZVPP-RI
Weigend's auxiliary basis set
4
0 1 2 3
10 8 6 4
10 8 6 4
217.780000000000 76.519800000000 28.519200000000 11.710500000000 5.360970000000 2.127840000000 0.907795000000 0.374607000000 0.169664000000 0.082582000000
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
51.340200000000 13.459500000000 5.560680000000 3.672480000000 1.347780000000 0.762616000000 0.266713000000 0.108417000000
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
21.853200000000 6.060060000000 3.398440000000 1.283820000000 0.372446000000 0.131873000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.719700000000 5.073790000000 1.213200000000 0.307075000000
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
Mg:def2-QZVP-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
12 11 8 6 3
12 11 8 6 3
847.920000000000 190.646000000000 62.478500000000 23.510500000000 11.334900000000 5.885740000000 2.895910000000 1.224780000000 0.677426000000 0.255638000000 0.115581000000 0.066554900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
217.000000000000 45.651000000000 28.932400000000 11.427300000000 6.807600000000 2.857860000000 1.399010000000 0.445580000000 0.271340000000 0.120765000000 0.070485500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
32.179100000000 10.792500000000 6.761570000000 3.643270000000 1.419000000000 0.745457000000 0.270482000000 0.106304000000
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
15.284800000000 8.056940000000 3.661970000000 1.542830000000 0.240775000000 0.117844000000
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
13.035100000000 7.151910000000 0.226548000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mg:def2-QZVPP-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
12 11 8 6 3
12 11 8 6 3
847.920000000000 190.646000000000 62.478500000000 23.510500000000 11.334900000000 5.885740000000 2.895910000000 1.224780000000 0.677426000000 0.255638000000 0.115581000000 0.066554900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
217.000000000000 45.651000000000 28.932400000000 11.427300000000 6.807600000000 2.857860000000 1.399010000000 0.445580000000 0.271340000000 0.120765000000 0.070485500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
32.179100000000 10.792500000000 6.761570000000 3.643270000000 1.419000000000 0.745457000000 0.270482000000 0.106304000000
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
15.284800000000 8.056940000000 3.661970000000 1.542830000000 0.240775000000 0.117844000000
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
13.035100000000 7.151910000000 0.226548000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mg:def2-SVPD-RI
Weigend's auxiliary basis set
4
0 1 2 3
8 6 4 1
11 9 6 1
217.779401800000 76.520514580000 28.519738440000 11.710439990000 5.360094900000 2.127639720000 0.907850100000 0.374623510000 0.169666260000 0.082581060000 0.022709700000
0.571124700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.436089800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -7.147065300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.633064500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.669692600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.586129400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
50.481643010000 13.403445640000 5.530669400000 3.253334940000 1.154772780000 0.679278110000 0.267155330000 0.107841130000 0.058811000000
-1.059006100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.683456100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.833046100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.177462600000 0.000000000000 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
22.446251090000 7.663470612000 4.040950767000 0.986040734600 0.169245051900 0.048930500000
1.937433100000 0.000000000000 0.000000000000 0.000000000000
1.858715500000 0.000000000000 0.000000000000 0.000000000000
0.524351800000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.973784070000
1.000000000000
Mg:def2-TZVPD-RI
Weigend's auxiliary basis set
4
0 1 2 3
11 9 7 4
11 9 7 4
217.780000000000 76.519800000000 28.519200000000 11.710500000000 5.360970000000 2.127840000000 0.907795000000 0.374607000000 0.169664000000 0.082582000000 0.016382600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
51.340200000000 13.459500000000 5.560680000000 3.672480000000 1.347780000000 0.762616000000 0.266713000000 0.108417000000 0.045095000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
21.853200000000 6.060060000000 3.398440000000 1.283820000000 0.372446000000 0.131873000000 0.025223000000
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
10.719700000000 5.073790000000 1.213200000000 0.307075000000
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
Mg:def2-TZVPPD-RI
Weigend's auxiliary basis set
4
0 1 2 3
11 9 7 4
11 9 7 4
217.780000000000 76.519800000000 28.519200000000 11.710500000000 5.360970000000 2.127840000000 0.907795000000 0.374607000000 0.169664000000 0.082582000000 0.016382600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
51.340200000000 13.459500000000 5.560680000000 3.672480000000 1.347780000000 0.762616000000 0.266713000000 0.108417000000 0.045095000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
21.853200000000 6.060060000000 3.398440000000 1.283820000000 0.372446000000 0.131873000000 0.025223000000
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
10.719700000000 5.073790000000 1.213200000000 0.307075000000
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
Mg:def2-QZVPPD-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
12 11 8 6 3
12 11 8 6 3
847.920000000000 190.646000000000 62.478500000000 23.510500000000 11.334900000000 5.885740000000 2.895910000000 1.224780000000 0.677426000000 0.255638000000 0.115581000000 0.066554900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
217.000000000000 45.651000000000 28.932400000000 11.427300000000 6.807600000000 2.857860000000 1.399010000000 0.445580000000 0.271340000000 0.120765000000 0.070485500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
32.179100000000 10.792500000000 6.761570000000 3.643270000000 1.419000000000 0.745457000000 0.270482000000 0.106304000000
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
15.284800000000 8.056940000000 3.661970000000 1.542830000000 0.240775000000 0.117844000000
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
13.035100000000 7.151910000000 0.226548000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Mg:def2-QZVPP-RI-JK
Weigend's Coulomb/exchange fitting basis set
5
0 1 2 3 4
13 9 7 4 1
16 12 9 4 1
2128.249585300000 807.930420500000 323.753231400000 136.772092600000 60.815703600000 28.404042900000 13.899707300000 7.105541400000 3.781291700000 2.086395700000 1.188251100000 0.695035900000 0.415276500000 0.251990100000 0.154351100000 0.094842800000
0.106433193500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.167892913600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.475436768300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.695733620200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.500398395200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
396.481526200000 152.109450800000 61.142601000000 25.673860200000 11.222347800000 5.086089000000 2.379216600000 1.143054400000 0.560954000000 0.279576600000 0.140654200000 0.070986000000
0.098933060200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.295277309600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.716255014200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.624501653000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
101.571042800000 42.395909800000 18.064561800000 7.835202900000 3.448995100000 1.536010900000 0.689836700000 0.311389000000 0.140798400000
0.086280837800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.310564673100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.946628333000 0.000000000000 0.000000000000 0.000000000000 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
13.370833500000 4.456944540000 1.485648100000 0.495216060000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.688776600000
0.821614058100
Mg:def2-QZVPP-RI-J
Weigend's Coulomb fitting basis set
5
0 1 2 3 4
8 4 4 1 1
14 5 5 2 1
4618.714434800000 1715.857236800000 660.366217200000 262.777242100000 107.879664600000 45.580929800000 19.767667800000 8.773860600000 3.973076300000 1.829422200000 0.853543200000 0.402043100000 0.190467200000 0.090407500000
0.406203700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.724820400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
2.401505000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
5.026808900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
6.880753500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
3.093018500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.806133000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.283460700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 2.968239200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.208158400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.022878900000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006026800000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.085247900000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.023862600000
4.233527000000 1.359832700000 0.502675200000 0.204310900000 0.085890800000
-0.008979600000 0.000000000000 0.000000000000 0.000000000000
0.016948600000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.012730000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.012729100000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.006964600000
15.363934000000 3.927526900000 1.182490100000 0.398529900000 0.139882200000
0.007229800000 0.000000000000 0.000000000000 0.000000000000
0.002252100000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.008141100000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.013436400000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.006200300000
2.258646100000 0.474026200000
-0.000951800000
0.002231600000
0.808760400000
-0.000400500000
Mg:cc-pVDZ-F12-OPTRI
Peterson's CABS RI basis set
5
0 1 2 3 4
4 5 4 3 1
4 5 4 3 1
3.503953000000 0.228860000000 0.058604000000 0.025465000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.221093000000 1.504399000000 0.479770000000 0.128800700000 0.047697000000
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
5.746645000000 0.887913000000 0.597140000000 0.133535000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.931802100000 0.592979000000 0.233877800000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.266097000000
1.000000000000
Mg:cc-pVTZ-F12-OPTRI
Peterson's CABS RI basis set
5
0 1 2 3 4
4 4 4 3 2
4 4 4 3 2
0.486559900000 0.108476600000 0.052354700000 0.023546300000
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
6.317355700000 0.423864700000 0.093944800000 0.031078500000
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
3.002694800000 0.609193200000 0.379473100000 0.101027600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.258900900000 0.293606800000 0.141895900000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.381332100000 0.197319700000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Mg:cc-pVQZ-F12-OPTRI
Peterson's CABS RI basis set
6
0 1 2 3 4 5
4 4 4 3 2 1
4 4 4 3 2 1
1.313088100000 0.260794200000 0.100290600000 0.048750500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.024592900000 0.232258200000 0.121883100000 0.062971500000
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
3.998866300000 1.197380800000 0.272799900000 0.152723600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.637241400000 0.693131400000 0.232689000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.667704500000 0.512474900000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.118969000000
1.000000000000
Mg:LANL2DZ-ECP-10
LANL2DZ ECP
*
NCORE = 10 LMAX =2
d-ul
-10.000000000000 1 237.548480400000
-55.899396800000 2 47.752036700000
-20.139195700000 2 10.783785200000
-7.067910700000 2 3.199212400000
-0.813310900000 2 1.063695300000
s-ul
3.000000000000 0 348.300863100000
44.007566000000 1 59.468013300000
107.386134400000 2 19.076758200000
35.828908800000 2 5.296561300000
10.114343500000 2 1.386737300000
p-ul
5.000000000000 0 1256.873908500000
117.105367200000 1 189.860883900000
420.597207300000 2 54.694963100000
107.612295900000 2 13.899013700000
29.100257600000 2 3.959718100000
7.087557000000 2 1.255278700000
*
Reference in New Issue View Git Blame Copy Permalink