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

4520 lines
630 KiB
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Executable File
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Cu:cc-pVDZ
Dunning's correlation consistent basis set
4
0 1 2 3
6 5 3 1
20 16 8 2
5430321.000000000000 813166.500000000000 185054.399999999994 52414.660000000003 17098.680000000000 6171.994000000000 2406.481000000000 997.258400000000 433.928900000000 196.286900000000 91.042800000000 41.384250000000 19.932780000000 9.581891000000 4.234516000000 1.985814000000 0.867083000000 0.181339000000 0.083657000000 0.036267000000
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0.000060657000 -0.000034248000 0.000007549200 -0.000001523500 -0.000002798800 0.000000000000
0.000318900000 -0.000180120000 0.000039689000 -0.000008014800 -0.000014325000 0.000000000000
0.001344700000 -0.000760050000 0.000167720000 -0.000033840000 -0.000062709000 0.000000000000
0.004869000000 -0.002759300000 0.000609510000 -0.000123120000 -0.000217950000 0.000000000000
0.015610000000 -0.008901000000 0.001978800000 -0.000399210000 -0.000747430000 0.000000000000
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0.109440000000 0.492810000000 -0.457320000000 0.102820000000 0.143670000000 0.000000000000
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0.103970000000 0.438420000000 1.000000000000
5.028600000000 1.259400000000
0.424280000000
0.763020000000
Cu:cc-pVTZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
7 6 4 2 1
20 16 8 2 1
5430321.000000000000 813166.500000000000 185054.399999999994 52414.660000000003 17098.680000000000 6171.994000000000 2406.481000000000 997.258400000000 433.928900000000 196.286900000000 91.042800000000 41.384250000000 19.932780000000 9.581891000000 4.234516000000 1.985814000000 0.867083000000 0.181339000000 0.083657000000 0.036267000000
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0.001344687000 -0.000760045000 0.000167720000 -0.000033840000 -0.000062709000 -0.000134041000 0.000000000000
0.004869050000 -0.002759348000 0.000609510000 -0.000123119000 -0.000217949000 -0.000461578000 0.000000000000
0.015610130000 -0.008900970000 0.001978846000 -0.000399209000 -0.000747432000 -0.001601064000 0.000000000000
0.044520770000 -0.025793780000 0.005798049000 -0.001171900000 -0.002049271000 -0.004330942000 0.000000000000
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0.000361000000 -0.000131000000 0.000025000000 0.000049000000 0.000096000000 0.000000000000
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0.084408000000 -0.108231000000 0.138336000000 0.000000000000
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0.264578000000 0.492047000000 -0.265797000000 0.000000000000
0.103972000000 0.438422000000 0.838063000000 1.000000000000
5.082100000000 1.279700000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
3.483500000000
1.000000000000
Cu:cc-pVQZ
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
8 7 5 3 2 1
22 18 11 3 2 1
16665490.000000000000 2495213.000000000000 567850.699999999953 160853.100000000006 52481.860000000001 18948.849999999999 7391.655000000000 3066.517000000000 1337.994000000000 608.783000000000 286.898000000000 139.153000000000 68.494550000000 31.601080000000 15.991580000000 8.056510000000 3.690329000000 1.762902000000 0.801269000000 0.184243000000 0.081793000000 0.035303000000
0.000001922000 -0.000001083000 0.000000239000 -0.000000048000 -0.000000089000 -0.000000185000 -0.000000198000 0.000000000000
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0.000078631000 -0.000044286000 0.000009773000 -0.000001973000 -0.000003601000 -0.000007511000 -0.000008326000 0.000000000000
0.000332119000 -0.000187207000 0.000041376000 -0.000008350000 -0.000015769000 -0.000032750000 -0.000031194000 0.000000000000
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0.003936231000 -0.002225485000 0.000493217000 -0.000099530000 -0.000189706000 -0.000393590000 -0.000358536000 0.000000000000
0.011660310000 -0.006619620000 0.001469467000 -0.000296719000 -0.000531166000 -0.001110617000 -0.001333996000 0.000000000000
0.031495120000 -0.018114000000 0.004071487000 -0.000821729000 -0.001584593000 -0.003284174000 -0.002824728000 0.000000000000
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0.159516200000 -0.099554430000 0.023814080000 -0.004811149000 -0.009458893000 -0.019590130000 -0.015293230000 0.000000000000
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0.281670800000 -0.251057700000 0.074244500000 -0.015073510000 -0.031454020000 -0.065071760000 -0.035834680000 0.000000000000
0.150958700000 -0.170341700000 0.056576570000 -0.011610880000 -0.014447120000 -0.032694160000 -0.104490600000 0.000000000000
0.070419550000 0.190007700000 -0.097608620000 0.020327160000 0.020378560000 0.047389150000 0.210585400000 0.000000000000
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3.790900000000
1.000000000000
Cu:cc-pV5Z
Dunning's correlation consistent basis set
7
0 1 2 3 4 5 6
9 8 6 4 3 2 1
28 20 12 4 3 2 1
193188000.000000000000 33945200.000000000000 7510460.000000000000 2001990.000000000000 619378.000000000000 215606.000000000000 82327.100000000006 33788.400000000001 14670.000000000000 6657.440000000000 3130.260000000000 1515.610000000000 752.588000000000 382.249000000000 198.237000000000 104.810000000000 56.388500000000 30.783000000000 16.977000000000 9.397250000000 5.172380000000 2.795350000000 1.458900000000 0.728711000000 0.237642000000 0.127821000000 0.061815000000 0.029303000000
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0.000014942000 -0.000008413000 0.000001859000 -0.000000375000 0.000000690000 -0.000001396000 0.000001666000 0.000001906000 0.000000000000
0.000057876000 -0.000032591000 0.000007198000 -0.000001452000 0.000002710000 -0.000005521000 0.000006346000 0.000007719000 0.000000000000
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732.893000000000 220.753000000000 85.626800000000 37.717800000000 17.764700000000 8.764150000000 4.417866000000 2.218039000000 1.093531000000 0.523091000000 0.238475000000 0.100026000000
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0.158857000000 -0.209991000000 0.279906000000 -0.497034000000 -0.616249000000 0.000000000000
0.245858000000 -0.292056000000 0.284577000000 0.005197000000 1.222932000000 0.000000000000
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0.196565000000 0.383554000000 -0.162225000000 -0.919754000000 1.026966000000 0.000000000000
0.100597000000 0.361694000000 0.520043000000 0.242882000000 0.381915000000 0.000000000000
0.023178000000 0.139586000000 0.375922000000 0.509668000000 -0.716260000000 1.000000000000
10.913100000000 3.906300000000 1.398200000000 0.500500000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.847600000000 3.125600000000 1.104200000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
6.549000000000 2.102400000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
4.942800000000
1.000000000000
Cu:aug-cc-pVDZ
Dunning's correlation consistent basis set
4
0 1 2 3
7 6 4 2
21 17 9 3
5430321.000000000000 813166.500000000000 185054.399999999994 52414.660000000003 17098.680000000000 6171.994000000000 2406.481000000000 997.258400000000 433.928900000000 196.286900000000 91.042800000000 41.384250000000 19.932780000000 9.581891000000 4.234516000000 1.985814000000 0.867083000000 0.181339000000 0.083657000000 0.036267000000 0.015720000000
0.000007801000 -0.000004404700 0.000000970470 -0.000000195940 -0.000000353220 0.000000000000 0.000000000000
0.000060657000 -0.000034248000 0.000007549200 -0.000001523500 -0.000002798800 0.000000000000 0.000000000000
0.000318900000 -0.000180120000 0.000039689000 -0.000008014800 -0.000014325000 0.000000000000 0.000000000000
0.001344700000 -0.000760050000 0.000167720000 -0.000033840000 -0.000062709000 0.000000000000 0.000000000000
0.004869000000 -0.002759300000 0.000609510000 -0.000123120000 -0.000217950000 0.000000000000 0.000000000000
0.015610000000 -0.008901000000 0.001978800000 -0.000399210000 -0.000747430000 0.000000000000 0.000000000000
0.044521000000 -0.025794000000 0.005798000000 -0.001171900000 -0.002049300000 0.000000000000 0.000000000000
0.110310000000 -0.066239000000 0.015342000000 -0.003096100000 -0.005885200000 0.000000000000 0.000000000000
0.222030000000 -0.144590000000 0.035405000000 -0.007172000000 -0.012269000000 0.000000000000 0.000000000000
0.313370000000 -0.244010000000 0.067021000000 -0.013566000000 -0.026831000000 0.000000000000 0.000000000000
0.231510000000 -0.250480000000 0.080269000000 -0.016440000000 -0.024793000000 0.000000000000 0.000000000000
0.076409000000 0.028526000000 -0.019272000000 0.004107600000 -0.005984700000 0.000000000000 0.000000000000
0.110380000000 0.511590000000 -0.316010000000 0.066940000000 0.155710000000 0.000000000000 0.000000000000
0.109440000000 0.492810000000 -0.457320000000 0.102820000000 0.143670000000 0.000000000000 0.000000000000
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0.000050922000 0.000201350000 0.388510000000 -0.223000000000 0.124440000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
22760.570000000000 5387.679000000000 1749.945000000000 669.665300000000 284.194800000000 129.607700000000 62.254150000000 30.929640000000 15.758270000000 8.094211000000 4.046921000000 1.967869000000 0.925295000000 0.352992000000 0.127307000000 0.044356000000 0.015450000000
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0.093795000000 -0.035703000000 0.007004000000 0.013370000000 0.000000000000 0.000000000000
0.208270000000 -0.082502000000 0.016131000000 0.030469000000 0.000000000000 0.000000000000
0.333990000000 -0.139890000000 0.027770000000 0.053447000000 0.000000000000 0.000000000000
0.332490000000 -0.140730000000 0.027567000000 0.052639000000 0.000000000000 0.000000000000
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173.897000000000 51.886900000000 19.341900000000 7.975720000000 3.398230000000 1.409320000000 0.548858000000 0.190199000000 0.065910000000
0.002700000000 -0.003363000000 0.000000000000 0.000000000000
0.020909000000 -0.026079000000 0.000000000000 0.000000000000
0.084408000000 -0.108230000000 0.000000000000 0.000000000000
0.214000000000 -0.282220000000 0.000000000000 0.000000000000
0.335980000000 -0.347190000000 0.000000000000 0.000000000000
0.357300000000 0.026711000000 0.000000000000 0.000000000000
0.264580000000 0.492050000000 0.000000000000 0.000000000000
0.103970000000 0.438420000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.028600000000 1.259400000000 0.461720000000
0.424280000000 0.000000000000
0.763020000000 0.000000000000
0.000000000000 1.000000000000
Cu:aug-cc-pVTZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
8 7 5 3 2
21 17 9 3 2
5430321.000000000000 813166.500000000000 185054.399999999994 52414.660000000003 17098.680000000000 6171.994000000000 2406.481000000000 997.258400000000 433.928900000000 196.286900000000 91.042800000000 41.384250000000 19.932780000000 9.581891000000 4.234516000000 1.985814000000 0.867083000000 0.181339000000 0.083657000000 0.036267000000 0.015720000000
0.000007801000 -0.000004405000 0.000000970000 -0.000000196000 -0.000000353000 -0.000000751000 0.000000000000 0.000000000000
0.000060657000 -0.000034248000 0.000007549000 -0.000001523000 -0.000002799000 -0.000005972000 0.000000000000 0.000000000000
0.000318896000 -0.000180124000 0.000039689000 -0.000008015000 -0.000014325000 -0.000030397000 0.000000000000 0.000000000000
0.001344687000 -0.000760045000 0.000167720000 -0.000033840000 -0.000062709000 -0.000134041000 0.000000000000 0.000000000000
0.004869050000 -0.002759348000 0.000609510000 -0.000123119000 -0.000217949000 -0.000461578000 0.000000000000 0.000000000000
0.015610130000 -0.008900970000 0.001978846000 -0.000399209000 -0.000747432000 -0.001601064000 0.000000000000 0.000000000000
0.044520770000 -0.025793780000 0.005798049000 -0.001171900000 -0.002049271000 -0.004330942000 0.000000000000 0.000000000000
0.110311100000 -0.066238610000 0.015341580000 -0.003096141000 -0.005885203000 -0.012654340000 0.000000000000 0.000000000000
0.222034200000 -0.144592700000 0.035404840000 -0.007171993000 -0.012268850000 -0.025868640000 0.000000000000 0.000000000000
0.313373900000 -0.244011000000 0.067020980000 -0.013566210000 -0.026831470000 -0.058354280000 0.000000000000 0.000000000000
0.231512100000 -0.250483700000 0.080269450000 -0.016439890000 -0.024792610000 -0.051323220000 0.000000000000 0.000000000000
0.076409200000 0.028525770000 -0.019272310000 0.004107628000 -0.005984746000 -0.019089530000 0.000000000000 0.000000000000
0.110381800000 0.511587400000 -0.316012900000 0.066939640000 0.155712400000 0.358611600000 0.000000000000 0.000000000000
0.109437200000 0.492806100000 -0.457316200000 0.102822100000 0.143668300000 0.388581800000 0.000000000000 0.000000000000
0.018363110000 0.087884370000 0.155084100000 -0.044229450000 0.008374103000 -0.305710600000 0.000000000000 0.000000000000
-0.000604308000 -0.005820281000 0.720287200000 -0.203119100000 -0.746071100000 -2.069896000000 0.000000000000 0.000000000000
0.000050922000 0.000201351000 0.388512200000 -0.223002200000 0.124436700000 2.431774000000 0.000000000000 0.000000000000
-0.000055407000 -0.000518255000 0.019243260000 0.251797500000 1.510110000000 -0.021219740000 0.000000000000 0.000000000000
0.000039695000 0.000373150000 -0.007103807000 0.565009100000 -0.347712200000 -1.820251000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
22760.570000000000 5387.679000000000 1749.945000000000 669.665300000000 284.194800000000 129.607700000000 62.254150000000 30.929640000000 15.758270000000 8.094211000000 4.046921000000 1.967869000000 0.925295000000 0.352992000000 0.127307000000 0.044356000000 0.015450000000
0.000040000000 -0.000015000000 0.000003000000 0.000005000000 0.000011000000 0.000000000000 0.000000000000
0.000361000000 -0.000131000000 0.000025000000 0.000049000000 0.000096000000 0.000000000000 0.000000000000
0.002083000000 -0.000755000000 0.000147000000 0.000278000000 0.000590000000 0.000000000000 0.000000000000
0.009197000000 -0.003359000000 0.000656000000 0.001253000000 0.002484000000 0.000000000000 0.000000000000
0.032660000000 -0.012081000000 0.002351000000 0.004447000000 0.009463000000 0.000000000000 0.000000000000
0.093795000000 -0.035703000000 0.007004000000 0.013370000000 0.026453000000 0.000000000000 0.000000000000
0.208274000000 -0.082502000000 0.016131000000 0.030469000000 0.065689000000 0.000000000000 0.000000000000
0.333993000000 -0.139890000000 0.027770000000 0.053447000000 0.102732000000 0.000000000000 0.000000000000
0.332493000000 -0.140729000000 0.027567000000 0.052639000000 0.137041000000 0.000000000000 0.000000000000
0.154728000000 0.038766000000 -0.010115000000 -0.016881000000 -0.070961000000 0.000000000000 0.000000000000
0.021271000000 0.342695000000 -0.081009000000 -0.179448000000 -0.504708000000 0.000000000000 0.000000000000
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0.000023000000 -0.002802000000 0.564629000000 0.581111000000 -0.832766000000 0.000000000000 0.000000000000
-0.000009000000 0.001152000000 0.407000000000 0.045666000000 -0.108416000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
173.897000000000 51.886900000000 19.341900000000 7.975720000000 3.398230000000 1.409320000000 0.548858000000 0.190199000000 0.065910000000
0.002700000000 -0.003363000000 0.004133000000 0.000000000000 0.000000000000
0.020909000000 -0.026079000000 0.033085000000 0.000000000000 0.000000000000
0.084408000000 -0.108231000000 0.138336000000 0.000000000000 0.000000000000
0.213999000000 -0.282217000000 0.390166000000 0.000000000000 0.000000000000
0.335980000000 -0.347190000000 0.169842000000 0.000000000000 0.000000000000
0.357301000000 0.026711000000 -0.683018000000 0.000000000000 0.000000000000
0.264578000000 0.492047000000 -0.265797000000 0.000000000000 0.000000000000
0.103972000000 0.438422000000 0.838063000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.082100000000 1.279700000000 0.461720000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.483500000000 1.459790000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:aug-cc-pVQZ
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
9 8 6 4 3 2
23 19 12 4 3 2
16665490.000000000000 2495213.000000000000 567850.699999999953 160853.100000000006 52481.860000000001 18948.849999999999 7391.655000000000 3066.517000000000 1337.994000000000 608.783000000000 286.898000000000 139.153000000000 68.494550000000 31.601080000000 15.991580000000 8.056510000000 3.690329000000 1.762902000000 0.801269000000 0.184243000000 0.081793000000 0.035303000000 0.015240000000
0.000001922000 -0.000001083000 0.000000239000 -0.000000048000 -0.000000089000 -0.000000185000 -0.000000198000 0.000000000000 0.000000000000
0.000014947000 -0.000008421000 0.000001860000 -0.000000375000 -0.000000703000 -0.000001462000 -0.000001446000 0.000000000000 0.000000000000
0.000078631000 -0.000044286000 0.000009773000 -0.000001973000 -0.000003601000 -0.000007511000 -0.000008326000 0.000000000000 0.000000000000
0.000332119000 -0.000187207000 0.000041376000 -0.000008350000 -0.000015769000 -0.000032750000 -0.000031194000 0.000000000000 0.000000000000
0.001209649000 -0.000681926000 0.000150559000 -0.000030395000 -0.000054997000 -0.000114824000 -0.000132084000 0.000000000000 0.000000000000
0.003936231000 -0.002225485000 0.000493217000 -0.000099530000 -0.000189706000 -0.000393590000 -0.000358536000 0.000000000000 0.000000000000
0.011660310000 -0.006619620000 0.001469467000 -0.000296719000 -0.000531166000 -0.001110617000 -0.001333996000 0.000000000000 0.000000000000
0.031495120000 -0.018114000000 0.004071487000 -0.000821729000 -0.001584593000 -0.003284174000 -0.002824728000 0.000000000000 0.000000000000
0.076463850000 -0.045066220000 0.010300910000 -0.002081377000 -0.003671316000 -0.007697235000 -0.009806333000 0.000000000000 0.000000000000
0.159516200000 -0.099554430000 0.023814080000 -0.004811149000 -0.009458893000 -0.019590130000 -0.015293230000 0.000000000000 0.000000000000
0.261898300000 -0.183055800000 0.047070080000 -0.009537683000 -0.016301340000 -0.034447120000 -0.049565730000 0.000000000000 0.000000000000
0.281670800000 -0.251057700000 0.074244500000 -0.015073510000 -0.031454020000 -0.065071760000 -0.035834680000 0.000000000000 0.000000000000
0.150958700000 -0.170341700000 0.056576570000 -0.011610880000 -0.014447120000 -0.032694160000 -0.104490600000 0.000000000000 0.000000000000
0.070419550000 0.190007700000 -0.097608620000 0.020327160000 0.020378560000 0.047389150000 0.210585400000 0.000000000000 0.000000000000
0.118003900000 0.550704800000 -0.385639900000 0.083274030000 0.199730700000 0.433371200000 0.164673200000 0.000000000000 0.000000000000
0.080151870000 0.364253200000 -0.354031200000 0.079531250000 0.094759260000 0.318952100000 1.150513000000 0.000000000000 0.000000000000
0.010201220000 0.048689770000 0.298395900000 -0.079015240000 -0.079353980000 -0.728195500000 -3.483732000000 0.000000000000 0.000000000000
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0.000015298000 0.000155365000 -0.003611640000 0.579403100000 -0.306620300000 -1.479102000000 4.627850000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
48218.410000000003 11420.549999999999 3713.569000000000 1423.762000000000 606.604100000000 278.256400000000 134.844900000000 68.122540000000 35.400880000000 18.790290000000 10.083560000000 5.346120000000 2.775228000000 1.407564000000 0.687213000000 0.246822000000 0.096220000000 0.037037000000 0.014260000000
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0.000097000000 -0.000035000000 0.000007000000 0.000013000000 0.000025000000 0.000037000000 0.000000000000 0.000000000000
0.000569000000 -0.000206000000 0.000040000000 0.000079000000 0.000163000000 0.000190000000 0.000000000000 0.000000000000
0.002589000000 -0.000941000000 0.000182000000 0.000349000000 0.000676000000 0.000978000000 0.000000000000 0.000000000000
0.009742000000 -0.003556000000 0.000697000000 0.001373000000 0.002808000000 0.003308000000 0.000000000000 0.000000000000
0.030930000000 -0.011461000000 0.002220000000 0.004261000000 0.008255000000 0.011980000000 0.000000000000 0.000000000000
0.082530000000 -0.031309000000 0.006163000000 0.012146000000 0.024946000000 0.029207000000 0.000000000000 0.000000000000
0.177758000000 -0.070139000000 0.013631000000 0.026064000000 0.050160000000 0.075122000000 0.000000000000 0.000000000000
0.292225000000 -0.120562000000 0.024033000000 0.047907000000 0.100289000000 0.107835000000 0.000000000000 0.000000000000
0.330349000000 -0.143552000000 0.027862000000 0.052829000000 0.102319000000 0.207379000000 0.000000000000 0.000000000000
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0.052793000000 0.208466000000 -0.051133000000 -0.117783000000 -0.384449000000 -0.894977000000 0.000000000000 0.000000000000
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527.886000000000 158.733000000000 61.555600000000 26.883400000000 12.517500000000 6.069770000000 2.958319000000 1.414122000000 0.653329000000 0.286692000000 0.115014000000 0.046140000000
0.000256000000 -0.000316000000 0.000379000000 -0.000593000000 0.000000000000 0.000000000000
0.002378000000 -0.002958000000 0.003573000000 -0.005106000000 0.000000000000 0.000000000000
0.012722000000 -0.015877000000 0.019229000000 -0.029922000000 0.000000000000 0.000000000000
0.045012000000 -0.056864000000 0.069903000000 -0.103293000000 0.000000000000 0.000000000000
0.117196000000 -0.153584000000 0.199380000000 -0.359568000000 0.000000000000 0.000000000000
0.218555000000 -0.281139000000 0.348848000000 -0.412807000000 0.000000000000 0.000000000000
0.291448000000 -0.268518000000 0.051394000000 0.747689000000 0.000000000000 0.000000000000
0.297138000000 0.023130000000 -0.559679000000 0.542515000000 0.000000000000 0.000000000000
0.236092000000 0.356620000000 -0.384581000000 -0.977706000000 0.000000000000 0.000000000000
0.131444000000 0.418470000000 0.438925000000 -0.088603000000 0.000000000000 0.000000000000
0.034345000000 0.192827000000 0.490498000000 0.655070000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.734400000000 2.390900000000 0.739100000000 0.257470000000
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
6.007500000000 1.776000000000 0.732120000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.790900000000 1.676810000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:aug-cc-pV5Z
Dunning's correlation consistent basis set
7
0 1 2 3 4 5 6
10 9 7 5 4 3 1
29 21 13 5 4 3 1
193188000.000000000000 33945200.000000000000 7510460.000000000000 2001990.000000000000 619378.000000000000 215606.000000000000 82327.100000000006 33788.400000000001 14670.000000000000 6657.440000000000 3130.260000000000 1515.610000000000 752.588000000000 382.249000000000 198.237000000000 104.810000000000 56.388500000000 30.783000000000 16.977000000000 9.397250000000 5.172380000000 2.795350000000 1.458900000000 0.728711000000 0.237642000000 0.127821000000 0.061815000000 0.029303000000 0.013890000000
0.000000082000 -0.000000046000 0.000000010000 -0.000000002000 0.000000004000 -0.000000008000 0.000000009000 0.000000011000 0.000000000000 0.000000000000
0.000000558000 -0.000000314000 0.000000069000 -0.000000014000 0.000000026000 -0.000000052000 0.000000062000 0.000000072000 0.000000000000 0.000000000000
0.000003254000 -0.000001832000 0.000000405000 -0.000000082000 0.000000152000 -0.000000309000 0.000000358000 0.000000430000 0.000000000000 0.000000000000
0.000014942000 -0.000008413000 0.000001859000 -0.000000375000 0.000000690000 -0.000001396000 0.000001666000 0.000001906000 0.000000000000 0.000000000000
0.000057876000 -0.000032591000 0.000007198000 -0.000001452000 0.000002710000 -0.000005521000 0.000006346000 0.000007719000 0.000000000000 0.000000000000
0.000195931000 -0.000110347000 0.000024385000 -0.000004921000 0.000009029000 -0.000018222000 0.000021939000 0.000024737000 0.000000000000 0.000000000000
0.000598853000 -0.000337451000 0.000074563000 -0.000015041000 0.000028172000 -0.000057530000 0.000065434000 0.000080944000 0.000000000000 0.000000000000
0.001691000000 -0.000953817000 0.000211064000 -0.000042595000 0.000077825000 -0.000156672000 0.000190889000 0.000211052000 0.000000000000 0.000000000000
0.004482558000 -0.002534704000 0.000561592000 -0.000113286000 0.000213137000 -0.000436385000 0.000490208000 0.000618625000 0.000000000000 0.000000000000
0.011242150000 -0.006388537000 0.001422427000 -0.000287112000 0.000522143000 -0.001048344000 0.001294337000 0.001401250000 0.000000000000 0.000000000000
0.026645630000 -0.015303150000 0.003432886000 -0.000692592000 0.001309502000 -0.002689174000 0.002982099000 0.003844742000 0.000000000000 0.000000000000
0.058871070000 -0.034522580000 0.007881403000 -0.001591691000 0.002879448000 -0.005765512000 0.007234214000 0.007649810000 0.000000000000 0.000000000000
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0.199950400000 -0.132404500000 0.032996860000 -0.006677064000 0.011955410000 -0.023830530000 0.030952780000 0.031266180000 0.000000000000 0.000000000000
0.260502400000 -0.201766000000 0.055217700000 -0.011185450000 0.021801800000 -0.045684140000 0.047340780000 0.069324230000 0.000000000000 0.000000000000
0.215419400000 -0.217890300000 0.068401310000 -0.013947920000 0.023638520000 -0.045754310000 0.070008770000 0.055046150000 0.000000000000 0.000000000000
0.092482470000 -0.094415420000 0.031221470000 -0.006364561000 0.017067980000 -0.041255060000 0.016293990000 0.084603410000 0.000000000000 0.000000000000
0.057104460000 0.187457100000 -0.096352150000 0.019918090000 -0.047838590000 0.110349300000 -0.058393500000 -0.199358300000 0.000000000000 0.000000000000
0.102400300000 0.466391800000 -0.313845700000 0.067744410000 -0.109752400000 0.214884200000 -0.410493500000 -0.318523000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
110294.000000000000 26939.099999999999 8550.709999999999 3246.190000000000 1388.460000000000 642.474000000000 313.570000000000 159.161000000000 83.441400000000 45.019600000000 24.889400000000 13.973100000000 7.825710000000 4.286320000000 2.290340000000 1.193420000000 0.593765000000 0.223987000000 0.089026000000 0.035213000000 0.013930000000
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0.000136000000 -0.000049000000 0.000010000000 0.000019000000 0.000039000000 0.000041000000 0.000060000000 0.000000000000 0.000000000000
0.000630000000 -0.000228000000 0.000044000000 0.000084000000 0.000165000000 0.000233000000 0.000320000000 0.000000000000 0.000000000000
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0.305499000000 -0.130450000000 0.026381000000 0.054122000000 0.116502000000 0.104066000000 0.173822000000 0.000000000000 0.000000000000
0.267676000000 -0.108160000000 0.020186000000 0.036368000000 0.075510000000 0.233894000000 0.465598000000 0.000000000000 0.000000000000
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0.023021000000 0.278077000000 -0.068054000000 -0.162215000000 -0.514199000000 -0.843439000000 -0.886794000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
732.893000000000 220.753000000000 85.626800000000 37.717800000000 17.764700000000 8.764150000000 4.417866000000 2.218039000000 1.093531000000 0.523091000000 0.238475000000 0.100026000000 0.041950000000
0.000125000000 -0.000155000000 0.000184000000 -0.000257000000 -0.000383000000 0.000000000000 0.000000000000
0.001198000000 -0.001488000000 0.001807000000 -0.002773000000 -0.003285000000 0.000000000000 0.000000000000
0.006836000000 -0.008527000000 0.010277000000 -0.014745000000 -0.021125000000 0.000000000000 0.000000000000
0.026260000000 -0.032955000000 0.040427000000 -0.062290000000 -0.076736000000 0.000000000000 0.000000000000
0.074273000000 -0.095565000000 0.119751000000 -0.186212000000 -0.319388000000 0.000000000000 0.000000000000
0.158857000000 -0.209991000000 0.279906000000 -0.497034000000 -0.616249000000 0.000000000000 0.000000000000
0.245858000000 -0.292056000000 0.284577000000 0.005197000000 1.222932000000 0.000000000000 0.000000000000
0.286509000000 -0.173844000000 -0.207275000000 0.995255000000 0.228634000000 0.000000000000 0.000000000000
0.266505000000 0.142646000000 -0.578802000000 -0.096450000000 -1.610143000000 0.000000000000 0.000000000000
0.196565000000 0.383554000000 -0.162225000000 -0.919754000000 1.026966000000 0.000000000000 0.000000000000
0.100597000000 0.361694000000 0.520043000000 0.242882000000 0.381915000000 0.000000000000 0.000000000000
0.023178000000 0.139586000000 0.375922000000 0.509668000000 -0.716260000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.913100000000 3.906300000000 1.398200000000 0.500500000000 0.173390000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.847600000000 3.125600000000 1.104200000000 0.426370000000
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
6.549000000000 2.102400000000 0.905090000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.942800000000
1.000000000000
Cu:aug-cc-pwCVTZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
10 9 7 4 3
23 19 11 4 3
5430321.000000000000 813166.500000000000 185054.399999999994 52414.660000000003 17098.680000000000 6171.994000000000 2406.481000000000 997.258400000000 433.928900000000 196.286900000000 91.042800000000 41.384250000000 19.932780000000 9.581891000000 6.323300000000 4.234516000000 1.985814000000 1.645900000000 0.867083000000 0.181339000000 0.083657000000 0.036267000000 0.015720000000
0.000007801026 -0.000004404706 0.000000000000 0.000000000000 0.000000970468 -0.000000195935 -0.000000750827 -0.000000353223 0.000000000000 0.000000000000
0.000060656660 -0.000034248010 0.000000000000 0.000000000000 0.000007549245 -0.000001523472 -0.000005972018 -0.000002798812 0.000000000000 0.000000000000
0.000318896400 -0.000180123800 0.000000000000 0.000000000000 0.000039688920 -0.000008014808 -0.000030396820 -0.000014325170 0.000000000000 0.000000000000
0.001344687000 -0.000760045500 0.000000000000 0.000000000000 0.000167720000 -0.000033839920 -0.000134040500 -0.000062709460 0.000000000000 0.000000000000
0.004869050000 -0.002759348000 0.000000000000 0.000000000000 0.000609510100 -0.000123119100 -0.000461577800 -0.000217949000 0.000000000000 0.000000000000
0.015610130000 -0.008900970000 0.000000000000 0.000000000000 0.001978846000 -0.000399208500 -0.001601064000 -0.000747431600 0.000000000000 0.000000000000
0.044520770000 -0.025793780000 0.000000000000 0.000000000000 0.005798049000 -0.001171900000 -0.004330942000 -0.002049271000 0.000000000000 0.000000000000
0.110311100000 -0.066238610000 0.000000000000 0.000000000000 0.015341580000 -0.003096141000 -0.012654340000 -0.005885203000 0.000000000000 0.000000000000
0.222034200000 -0.144592700000 0.000000000000 0.000000000000 0.035404840000 -0.007171993000 -0.025868640000 -0.012268850000 0.000000000000 0.000000000000
0.313373900000 -0.244011000000 0.000000000000 0.000000000000 0.067020980000 -0.013566210000 -0.058354280000 -0.026831470000 0.000000000000 0.000000000000
0.231512100000 -0.250483700000 0.000000000000 0.000000000000 0.080269450000 -0.016439890000 -0.051323220000 -0.024792610000 0.000000000000 0.000000000000
0.076409200000 0.028525770000 0.000000000000 0.000000000000 -0.019272310000 0.004107628000 -0.019089530000 -0.005984746000 0.000000000000 0.000000000000
0.110381800000 0.511587400000 0.000000000000 0.000000000000 -0.316012900000 0.066939640000 0.358611600000 0.155712400000 0.000000000000 0.000000000000
0.109437200000 0.492806100000 0.000000000000 0.000000000000 -0.457316200000 0.102822100000 0.388581800000 0.143668300000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.018363110000 0.087884370000 0.000000000000 0.000000000000 0.155084100000 -0.044229450000 -0.305710600000 0.008374103000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000050922450 0.000201350800 0.000000000000 0.000000000000 0.388512200000 -0.223002200000 2.431774000000 0.124436700000 0.000000000000 0.000000000000
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0.000039694820 0.000373150300 0.000000000000 0.000000000000 -0.007103807000 0.565009100000 -1.820251000000 -0.347712200000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
22760.570000000000 5387.679000000000 1749.945000000000 669.665300000000 284.194800000000 129.607700000000 62.254150000000 30.929640000000 15.758270000000 9.684500000000 8.094211000000 4.046921000000 2.206500000000 1.967869000000 0.925295000000 0.352992000000 0.127307000000 0.044356000000 0.015450000000
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0.154728000000 0.000000000000 0.000000000000 0.038766000000 -0.016881000000 -0.070961000000 -0.010115000000 0.000000000000 0.000000000000
0.021271000000 0.000000000000 0.000000000000 0.342695000000 -0.179448000000 -0.504708000000 -0.081009000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000023000000 0.000000000000 0.000000000000 -0.002802000000 0.581111000000 -0.832766000000 0.564629000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
173.897000000000 51.886900000000 19.341900000000 7.975720000000 6.924200000000 3.398230000000 3.341000000000 1.409320000000 0.548858000000 0.190199000000 0.065910000000
0.000000000000 0.000000000000 0.002700000000 -0.003363000000 0.004133000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.020909000000 -0.026079000000 0.033085000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.084408000000 -0.108231000000 0.138336000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.213999000000 -0.282217000000 0.390166000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.335980000000 -0.347190000000 0.169842000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.357301000000 0.026711000000 -0.683018000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.264578000000 0.492047000000 -0.265797000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.103972000000 0.438422000000 0.838063000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.221500000000 3.546800000000 1.279700000000 0.461720000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.312700000000 3.483500000000 1.459790000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Cu:aug-cc-pwCVQZ
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
11 10 8 5 4 3
25 21 14 5 4 3
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Cu:aug-cc-pwCV5Z
Dunning's correlation consistent basis set
7
0 1 2 3 4 5 6
12 11 9 6 5 4 3
31 23 15 6 5 4 3
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0.000000000000 0.000000000000 0.196565000000 0.383554000000 -0.919754000000 -0.162225000000 1.026966000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.100597000000 0.361694000000 0.242882000000 0.520043000000 0.381915000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.023178000000 0.139586000000 0.509668000000 0.375922000000 -0.716260000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
16.409600000000 7.300000000000 3.247500000000 1.444700000000 0.500500000000 0.173390000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.598400000000 5.759100000000 2.859600000000 1.104200000000 0.426370000000
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
10.031900000000 4.883600000000 2.102400000000 0.905090000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.982500000000 4.942800000000 2.447410000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Cu:cc-pVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
4 4 3 1
8 7 6 1
560.088000000000 56.648600000000 35.425800000000 11.054600000000 2.306820000000 0.951429000000 0.145184000000 0.050325000000
0.000637000000 -0.000136000000 -0.000333000000 0.000000000000
-0.009735000000 0.001401000000 0.005930000000 0.000000000000
0.065793000000 -0.013174000000 -0.032549000000 0.000000000000
-0.415035000000 0.095695000000 0.211071000000 0.000000000000
0.746611000000 -0.211874000000 -0.730556000000 0.000000000000
0.462173000000 -0.235944000000 0.177242000000 0.000000000000
0.015983000000 0.508115000000 1.714873000000 0.000000000000
-0.002767000000 0.621519000000 -1.604573000000 1.000000000000
70.973900000000 17.851000000000 4.246790000000 1.877600000000 0.793335000000 0.193476000000 0.057393000000
0.003682000000 -0.000628000000 -0.000910000000 0.000000000000
-0.082128000000 0.016563000000 0.029914000000 0.000000000000
0.375379000000 -0.084572000000 -0.166094000000 0.000000000000
0.508409000000 -0.141283000000 -0.278000000000 0.000000000000
0.239095000000 -0.003571000000 0.157584000000 0.000000000000
0.015850000000 0.519005000000 0.830488000000 0.000000000000
-0.002527000000 0.592475000000 0.165869000000 1.000000000000
60.380400000000 19.112100000000 6.952880000000 2.609940000000 0.922567000000 0.283642000000
0.017564000000 -0.022286000000 0.000000000000
0.099134000000 -0.128274000000 0.000000000000
0.271171000000 -0.362797000000 0.000000000000
0.406180000000 -0.325722000000 0.000000000000
0.381427000000 0.327087000000 0.000000000000
0.200626000000 0.656809000000 1.000000000000
2.748200000000
1.000000000000
Cu:cc-pVTZ-PP
Peterson's correlation consistent ECP basis set
5
0 1 2 3 4
5 5 4 2 1
10 9 8 2 1
1946.350000000000 277.945000000000 60.010800000000 37.513800000000 10.968800000000 2.335360000000 0.977580000000 0.185887000000 0.094851000000 0.040363000000
0.000173000000 -0.000043000000 -0.000085000000 -0.000331000000 0.000000000000
0.000958000000 -0.000173000000 -0.000418000000 0.000784000000 0.000000000000
-0.013932000000 0.002182000000 0.005125000000 -0.019937000000 0.000000000000
0.066672000000 -0.013215000000 -0.028079000000 -0.006473000000 0.000000000000
-0.414486000000 0.095460000000 0.206626000000 0.430463000000 0.000000000000
0.731985000000 -0.204892000000 -0.676395000000 -2.310357000000 0.000000000000
0.473559000000 -0.242955000000 0.006890000000 2.298199000000 0.000000000000
0.028860000000 0.212816000000 1.677159000000 0.391809000000 0.000000000000
-0.014378000000 0.532073000000 -0.459268000000 -2.223827000000 0.000000000000
0.004862000000 0.387872000000 -0.988952000000 1.525251000000 1.000000000000
395.025000000000 64.780800000000 17.833500000000 4.359580000000 2.018160000000 0.902312000000 0.312290000000 0.115680000000 0.041745000000
0.000206000000 -0.000051000000 -0.000122000000 -0.000394000000 0.000000000000
0.003872000000 -0.000700000000 -0.001242000000 -0.001345000000 0.000000000000
-0.083164000000 0.017085000000 0.035216000000 0.079175000000 0.000000000000
0.346789000000 -0.081468000000 -0.189485000000 -0.594939000000 0.000000000000
0.486762000000 -0.119801000000 -0.243228000000 -0.410419000000 0.000000000000
0.272285000000 -0.059962000000 0.025234000000 1.041898000000 0.000000000000
0.033986000000 0.235460000000 0.580129000000 0.343010000000 0.000000000000
-0.003690000000 0.560376000000 0.482540000000 -0.839740000000 0.000000000000
0.001306000000 0.360229000000 0.024183000000 -0.032298000000 1.000000000000
134.068000000000 42.240700000000 16.546700000000 7.012270000000 3.024460000000 1.264610000000 0.496238000000 0.173134000000
0.002966000000 -0.003679000000 0.004526000000 0.000000000000
0.027330000000 -0.033861000000 0.042325000000 0.000000000000
0.100168000000 -0.128396000000 0.166210000000 0.000000000000
0.231925000000 -0.301124000000 0.403122000000 0.000000000000
0.339261000000 -0.319748000000 0.071305000000 0.000000000000
0.345225000000 0.084551000000 -0.710888000000 0.000000000000
0.246637000000 0.501878000000 -0.146332000000 0.000000000000
0.091605000000 0.401209000000 0.801266000000 1.000000000000
5.141100000000 1.284800000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
3.452500000000
1.000000000000
Cu:cc-pVQZ-PP
Peterson's correlation consistent ECP basis set
6
0 1 2 3 4 5
6 6 5 3 2 1
14 11 11 3 2 1
15508.700000000001 2328.920000000000 523.777000000000 100.368000000000 61.740600000000 38.424800000000 12.034900000000 7.518840000000 3.027350000000 1.538200000000 0.743679000000 0.196623000000 0.084827000000 0.036162000000
0.000014000000 -0.000003000000 -0.000006000000 -0.000014000000 -0.000024000000 0.000000000000
0.000105000000 -0.000024000000 -0.000060000000 -0.000130000000 -0.000095000000 0.000000000000
0.000438000000 -0.000104000000 -0.000149000000 -0.000377000000 -0.000970000000 0.000000000000
0.004637000000 -0.000969000000 -0.003986000000 -0.007517000000 0.005342000000 0.000000000000
-0.025466000000 0.005373000000 0.017814000000 0.034187000000 -0.009341000000 0.000000000000
0.077473000000 -0.017051000000 -0.044062000000 -0.092384000000 -0.053619000000 0.000000000000
-0.302046000000 0.073562000000 0.196766000000 0.494391000000 0.627586000000 0.000000000000
-0.168545000000 0.034859000000 0.002901000000 -0.036250000000 0.000867000000 0.000000000000
0.448025000000 -0.117450000000 -0.219395000000 -1.147806000000 -3.450565000000 0.000000000000
0.594598000000 -0.199782000000 -0.720807000000 -0.908461000000 3.989974000000 0.000000000000
0.225161000000 -0.162814000000 0.383587000000 2.422896000000 -0.654531000000 0.000000000000
0.009316000000 0.264885000000 1.309336000000 -0.617402000000 -2.858257000000 0.000000000000
-0.001032000000 0.586938000000 -0.238530000000 -1.314860000000 4.079489000000 0.000000000000
0.001487000000 0.303148000000 -0.956112000000 1.269415000000 -2.038095000000 1.000000000000
345.449000000000 56.993000000000 20.399500000000 12.751000000000 5.034740000000 2.566200000000 1.277520000000 0.614337000000 0.231197000000 0.091114000000 0.035690000000
0.000251000000 -0.000054000000 -0.000120000000 -0.000285000000 -0.000370000000 0.000000000000
0.005213000000 -0.001076000000 -0.002214000000 -0.004899000000 -0.008901000000 0.000000000000
-0.053016000000 0.011553000000 0.025364000000 0.067231000000 0.156596000000 0.000000000000
-0.044757000000 0.008611000000 0.017412000000 0.025712000000 -0.053967000000 0.000000000000
0.246420000000 -0.058554000000 -0.141304000000 -0.445829000000 -1.089979000000 0.000000000000
0.431811000000 -0.098628000000 -0.211472000000 -0.458755000000 0.051820000000 0.000000000000
0.344372000000 -0.100097000000 -0.164021000000 0.217359000000 1.757077000000 0.000000000000
0.118781000000 0.029521000000 0.246089000000 1.061608000000 -0.987594000000 0.000000000000
0.009234000000 0.334690000000 0.639034000000 -0.286087000000 -0.789394000000 0.000000000000
-0.000288000000 0.530745000000 0.288320000000 -0.611214000000 0.972521000000 0.000000000000
0.000198000000 0.256996000000 0.007501000000 0.006130000000 -0.020221000000 1.000000000000
405.881000000000 123.071000000000 49.217900000000 22.614200000000 10.807800000000 5.325600000000 2.621010000000 1.262900000000 0.588137000000 0.260214000000 0.105338000000
0.000249000000 -0.000304000000 0.000363000000 -0.000576000000 0.000000000000
0.002618000000 -0.003254000000 0.003938000000 -0.005611000000 0.000000000000
0.017001000000 -0.021073000000 0.025527000000 -0.039895000000 0.000000000000
0.055480000000 -0.070167000000 0.086828000000 -0.130629000000 0.000000000000
0.134533000000 -0.175726000000 0.231359000000 -0.420466000000 0.000000000000
0.231312000000 -0.289547000000 0.338251000000 -0.275537000000 0.000000000000
0.291540000000 -0.235714000000 -0.048658000000 0.875422000000 0.000000000000
0.286333000000 0.074171000000 -0.591837000000 0.309468000000 0.000000000000
0.220476000000 0.373283000000 -0.288850000000 -0.998781000000 0.000000000000
0.118573000000 0.398469000000 0.487168000000 0.072181000000 0.000000000000
0.029020000000 0.167165000000 0.432394000000 0.593602000000 1.000000000000
7.892800000000 2.423500000000 0.744200000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
6.088800000000 1.787100000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
3.767600000000
1.000000000000
Cu:cc-pV5Z-PP
Peterson's correlation consistent ECP basis set
7
0 1 2 3 4 5 6
7 7 6 4 3 2 1
16 13 12 4 3 2 1
47481.000000000000 7116.860000000000 1608.280000000000 444.841000000000 97.809000000000 60.861800000000 37.893200000000 12.303900000000 7.695680000000 3.130580000000 1.619540000000 0.797112000000 0.267808000000 0.147986000000 0.068738000000 0.031588000000
0.000004000000 -0.000001000000 0.000002000000 -0.000004000000 0.000006000000 0.000012000000 0.000000000000
0.000027000000 -0.000006000000 0.000012000000 -0.000026000000 0.000030000000 -0.000007000000 0.000000000000
0.000134000000 -0.000026000000 0.000070000000 -0.000168000000 0.000280000000 0.000713000000 0.000000000000
0.000446000000 -0.000094000000 0.000191000000 -0.000363000000 0.000281000000 -0.001333000000 0.000000000000
0.004338000000 -0.000768000000 0.002515000000 -0.006769000000 0.014106000000 0.057727000000 0.000000000000
-0.024735000000 0.004507000000 -0.012760000000 0.031475000000 -0.058681000000 -0.207563000000 0.000000000000
0.078371000000 -0.015080000000 0.038423000000 -0.090452000000 0.150642000000 0.375802000000 0.000000000000
-0.280941000000 0.059732000000 -0.164687000000 0.452694000000 -0.916887000000 -2.248893000000 0.000000000000
-0.193332000000 0.036767000000 -0.055471000000 0.022129000000 0.376241000000 2.537798000000 0.000000000000
0.408836000000 -0.095959000000 0.265321000000 -1.086665000000 2.988122000000 2.991975000000 0.000000000000
0.591644000000 -0.160032000000 0.566659000000 -0.928633000000 -2.856378000000 -7.934876000000 0.000000000000
0.263543000000 -0.155412000000 -0.087979000000 2.044646000000 -0.876303000000 6.756177000000 0.000000000000
0.019873000000 -0.015239000000 -1.020025000000 0.799138000000 3.845249000000 -2.758986000000 0.000000000000
-0.006602000000 0.312267000000 -0.361174000000 -1.913043000000 -2.303327000000 -1.201282000000 0.000000000000
0.002173000000 0.524175000000 0.279474000000 -0.206277000000 -1.412039000000 3.472569000000 0.000000000000
-0.000398000000 0.299658000000 0.834383000000 0.987626000000 1.406804000000 -1.797940000000 1.000000000000
994.784000000000 233.574000000000 49.335500000000 24.622100000000 14.586100000000 5.149290000000 2.764270000000 1.443590000000 0.729025000000 0.315457000000 0.142026000000 0.063727000000 0.028238000000
0.000046000000 0.000010000000 -0.000021000000 -0.000053000000 0.000136000000 0.000485000000 0.000000000000
0.000323000000 0.000067000000 -0.000144000000 -0.000320000000 0.000084000000 -0.001780000000 0.000000000000
0.007777000000 0.001674000000 -0.003589000000 -0.008584000000 0.019353000000 0.062864000000 0.000000000000
-0.030225000000 -0.006876000000 0.015610000000 0.043611000000 -0.119527000000 -0.399115000000 0.000000000000
-0.068047000000 -0.013558000000 0.027793000000 0.054110000000 0.006125000000 0.389774000000 0.000000000000
0.218079000000 0.052064000000 -0.124731000000 -0.400372000000 0.945685000000 2.115493000000 0.000000000000
0.391876000000 0.090490000000 -0.203956000000 -0.496573000000 0.244017000000 -3.027962000000 0.000000000000
0.352823000000 0.096508000000 -0.161605000000 0.094732000000 -1.572639000000 0.286189000000 0.000000000000
0.164036000000 0.016308000000 0.108717000000 0.961556000000 0.079867000000 2.088935000000 0.000000000000
0.023659000000 -0.190360000000 0.491985000000 0.234111000000 1.508119000000 -1.738141000000 0.000000000000
-0.000827000000 -0.412834000000 0.453151000000 -0.723587000000 -0.760170000000 0.108796000000 0.000000000000
0.000951000000 -0.415467000000 0.098095000000 -0.178909000000 -0.350102000000 0.631350000000 0.000000000000
-0.000223000000 -0.133120000000 0.002873000000 -0.011297000000 -0.010443000000 -0.034484000000 1.000000000000
573.295000000000 173.771000000000 68.386800000000 31.975900000000 15.441800000000 7.784970000000 3.974590000000 2.011830000000 0.996673000000 0.478383000000 0.219149000000 0.092612000000
0.000112000000 -0.000141000000 0.000167000000 -0.000235000000 -0.000387000000 0.000000000000
0.001178000000 -0.001491000000 0.001814000000 -0.002771000000 -0.002948000000 0.000000000000
0.008099000000 -0.010298000000 0.012410000000 -0.018145000000 -0.027143000000 0.000000000000
0.032069000000 -0.041032000000 0.050382000000 -0.077377000000 -0.090368000000 0.000000000000
0.084304000000 -0.111092000000 0.140914000000 -0.227286000000 -0.405258000000 0.000000000000
0.167902000000 -0.224984000000 0.299203000000 -0.505980000000 -0.472184000000 0.000000000000
0.245275000000 -0.284756000000 0.237931000000 0.189781000000 1.407892000000 0.000000000000
0.276679000000 -0.138466000000 -0.280774000000 0.963839000000 -0.198209000000 0.000000000000
0.255087000000 0.178106000000 -0.567559000000 -0.284036000000 -1.414459000000 0.000000000000
0.193724000000 0.388227000000 -0.079742000000 -0.847792000000 1.173243000000 0.000000000000
0.108839000000 0.342110000000 0.536441000000 0.336220000000 0.188655000000 0.000000000000
0.029078000000 0.121498000000 0.330140000000 0.455023000000 -0.661563000000 1.000000000000
10.991000000000 3.917500000000 1.396400000000 0.497700000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.963000000000 3.144200000000 1.103000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
6.545900000000 2.084700000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
4.926300000000
1.000000000000
Cu:aug-cc-pVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
5 5 4 2
9 8 7 2
560.088000000000 56.648600000000 35.425800000000 11.054600000000 2.306820000000 0.951429000000 0.145184000000 0.050325000000 0.017400000000
0.000637000000 -0.000136000000 -0.000333000000 0.000000000000 0.000000000000
-0.009735000000 0.001401000000 0.005930000000 0.000000000000 0.000000000000
0.065793000000 -0.013174000000 -0.032549000000 0.000000000000 0.000000000000
-0.415035000000 0.095695000000 0.211071000000 0.000000000000 0.000000000000
0.746611000000 -0.211874000000 -0.730556000000 0.000000000000 0.000000000000
0.462173000000 -0.235944000000 0.177242000000 0.000000000000 0.000000000000
0.015983000000 0.508115000000 1.714873000000 0.000000000000 0.000000000000
-0.002767000000 0.621519000000 -1.604573000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
70.973900000000 17.851000000000 4.246790000000 1.877600000000 0.793335000000 0.193476000000 0.057393000000 0.017000000000
0.003682000000 -0.000628000000 -0.000910000000 0.000000000000 0.000000000000
-0.082128000000 0.016563000000 0.029914000000 0.000000000000 0.000000000000
0.375379000000 -0.084572000000 -0.166094000000 0.000000000000 0.000000000000
0.508409000000 -0.141283000000 -0.278000000000 0.000000000000 0.000000000000
0.239095000000 -0.003571000000 0.157584000000 0.000000000000 0.000000000000
0.015850000000 0.519005000000 0.830488000000 0.000000000000 0.000000000000
-0.002527000000 0.592475000000 0.165869000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
60.380400000000 19.112100000000 6.952880000000 2.609940000000 0.922567000000 0.283642000000 0.087200000000
0.017564000000 -0.022286000000 0.000000000000 0.000000000000
0.099134000000 -0.128274000000 0.000000000000 0.000000000000
0.271171000000 -0.362797000000 0.000000000000 0.000000000000
0.406180000000 -0.325722000000 0.000000000000 0.000000000000
0.381427000000 0.327087000000 0.000000000000 0.000000000000
0.200626000000 0.656809000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.748200000000 0.906600000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:aug-cc-pVTZ-PP
Peterson's correlation consistent ECP basis set
5
0 1 2 3 4
6 6 5 3 2
11 10 9 3 2
1946.350000000000 277.945000000000 60.010800000000 37.513800000000 10.968800000000 2.335360000000 0.977580000000 0.185887000000 0.094851000000 0.040363000000 0.017200000000
0.000173000000 -0.000043000000 -0.000085000000 -0.000331000000 0.000000000000 0.000000000000
0.000958000000 -0.000173000000 -0.000418000000 0.000784000000 0.000000000000 0.000000000000
-0.013932000000 0.002182000000 0.005125000000 -0.019937000000 0.000000000000 0.000000000000
0.066672000000 -0.013215000000 -0.028079000000 -0.006473000000 0.000000000000 0.000000000000
-0.414486000000 0.095460000000 0.206626000000 0.430463000000 0.000000000000 0.000000000000
0.731985000000 -0.204892000000 -0.676395000000 -2.310357000000 0.000000000000 0.000000000000
0.473559000000 -0.242955000000 0.006890000000 2.298199000000 0.000000000000 0.000000000000
0.028860000000 0.212816000000 1.677159000000 0.391809000000 0.000000000000 0.000000000000
-0.014378000000 0.532073000000 -0.459268000000 -2.223827000000 0.000000000000 0.000000000000
0.004862000000 0.387872000000 -0.988952000000 1.525251000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
395.025000000000 64.780800000000 17.833500000000 4.359580000000 2.018160000000 0.902312000000 0.312290000000 0.115680000000 0.041745000000 0.015100000000
0.000206000000 -0.000051000000 -0.000122000000 -0.000394000000 0.000000000000 0.000000000000
0.003872000000 -0.000700000000 -0.001242000000 -0.001345000000 0.000000000000 0.000000000000
-0.083164000000 0.017085000000 0.035216000000 0.079175000000 0.000000000000 0.000000000000
0.346789000000 -0.081468000000 -0.189485000000 -0.594939000000 0.000000000000 0.000000000000
0.486762000000 -0.119801000000 -0.243228000000 -0.410419000000 0.000000000000 0.000000000000
0.272285000000 -0.059962000000 0.025234000000 1.041898000000 0.000000000000 0.000000000000
0.033986000000 0.235460000000 0.580129000000 0.343010000000 0.000000000000 0.000000000000
-0.003690000000 0.560376000000 0.482540000000 -0.839740000000 0.000000000000 0.000000000000
0.001306000000 0.360229000000 0.024183000000 -0.032298000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
134.068000000000 42.240700000000 16.546700000000 7.012270000000 3.024460000000 1.264610000000 0.496238000000 0.173134000000 0.060400000000
0.002966000000 -0.003679000000 0.004526000000 0.000000000000 0.000000000000
0.027330000000 -0.033861000000 0.042325000000 0.000000000000 0.000000000000
0.100168000000 -0.128396000000 0.166210000000 0.000000000000 0.000000000000
0.231925000000 -0.301124000000 0.403122000000 0.000000000000 0.000000000000
0.339261000000 -0.319748000000 0.071305000000 0.000000000000 0.000000000000
0.345225000000 0.084551000000 -0.710888000000 0.000000000000 0.000000000000
0.246637000000 0.501878000000 -0.146332000000 0.000000000000 0.000000000000
0.091605000000 0.401209000000 0.801266000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.141100000000 1.284800000000 0.458700000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.452500000000 1.383100000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:aug-cc-pVQZ-PP
Peterson's correlation consistent ECP basis set
6
0 1 2 3 4 5
7 7 6 4 3 2
15 12 12 4 3 2
15508.700000000001 2328.920000000000 523.777000000000 100.368000000000 61.740600000000 38.424800000000 12.034900000000 7.518840000000 3.027350000000 1.538200000000 0.743679000000 0.196623000000 0.084827000000 0.036162000000 0.015400000000
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0.000105000000 -0.000024000000 -0.000060000000 -0.000130000000 -0.000095000000 0.000000000000 0.000000000000
0.000438000000 -0.000104000000 -0.000149000000 -0.000377000000 -0.000970000000 0.000000000000 0.000000000000
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0.594598000000 -0.199782000000 -0.720807000000 -0.908461000000 3.989974000000 0.000000000000 0.000000000000
0.225161000000 -0.162814000000 0.383587000000 2.422896000000 -0.654531000000 0.000000000000 0.000000000000
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0.001487000000 0.303148000000 -0.956112000000 1.269415000000 -2.038095000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
345.449000000000 56.993000000000 20.399500000000 12.751000000000 5.034740000000 2.566200000000 1.277520000000 0.614337000000 0.231197000000 0.091114000000 0.035690000000 0.014000000000
0.000251000000 -0.000054000000 -0.000120000000 -0.000285000000 -0.000370000000 0.000000000000 0.000000000000
0.005213000000 -0.001076000000 -0.002214000000 -0.004899000000 -0.008901000000 0.000000000000 0.000000000000
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0.246420000000 -0.058554000000 -0.141304000000 -0.445829000000 -1.089979000000 0.000000000000 0.000000000000
0.431811000000 -0.098628000000 -0.211472000000 -0.458755000000 0.051820000000 0.000000000000 0.000000000000
0.344372000000 -0.100097000000 -0.164021000000 0.217359000000 1.757077000000 0.000000000000 0.000000000000
0.118781000000 0.029521000000 0.246089000000 1.061608000000 -0.987594000000 0.000000000000 0.000000000000
0.009234000000 0.334690000000 0.639034000000 -0.286087000000 -0.789394000000 0.000000000000 0.000000000000
-0.000288000000 0.530745000000 0.288320000000 -0.611214000000 0.972521000000 0.000000000000 0.000000000000
0.000198000000 0.256996000000 0.007501000000 0.006130000000 -0.020221000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
405.881000000000 123.071000000000 49.217900000000 22.614200000000 10.807800000000 5.325600000000 2.621010000000 1.262900000000 0.588137000000 0.260214000000 0.105338000000 0.042600000000
0.000249000000 -0.000304000000 0.000363000000 -0.000576000000 0.000000000000 0.000000000000
0.002618000000 -0.003254000000 0.003938000000 -0.005611000000 0.000000000000 0.000000000000
0.017001000000 -0.021073000000 0.025527000000 -0.039895000000 0.000000000000 0.000000000000
0.055480000000 -0.070167000000 0.086828000000 -0.130629000000 0.000000000000 0.000000000000
0.134533000000 -0.175726000000 0.231359000000 -0.420466000000 0.000000000000 0.000000000000
0.231312000000 -0.289547000000 0.338251000000 -0.275537000000 0.000000000000 0.000000000000
0.291540000000 -0.235714000000 -0.048658000000 0.875422000000 0.000000000000 0.000000000000
0.286333000000 0.074171000000 -0.591837000000 0.309468000000 0.000000000000 0.000000000000
0.220476000000 0.373283000000 -0.288850000000 -0.998781000000 0.000000000000 0.000000000000
0.118573000000 0.398469000000 0.487168000000 0.072181000000 0.000000000000 0.000000000000
0.029020000000 0.167165000000 0.432394000000 0.593602000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.892800000000 2.423500000000 0.744200000000 0.261500000000
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
6.088800000000 1.787100000000 0.715100000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.767600000000 1.588900000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:aug-cc-pV5Z-PP
Peterson's correlation consistent ECP basis set
7
0 1 2 3 4 5 6
8 8 7 5 4 3 2
17 14 13 5 4 3 2
47481.000000000000 7116.860000000000 1608.280000000000 444.841000000000 97.809000000000 60.861800000000 37.893200000000 12.303900000000 7.695680000000 3.130580000000 1.619540000000 0.797112000000 0.267808000000 0.147986000000 0.068738000000 0.031588000000 0.014500000000
0.000004000000 -0.000001000000 0.000002000000 -0.000004000000 0.000006000000 0.000012000000 0.000000000000 0.000000000000
0.000027000000 -0.000006000000 0.000012000000 -0.000026000000 0.000030000000 -0.000007000000 0.000000000000 0.000000000000
0.000134000000 -0.000026000000 0.000070000000 -0.000168000000 0.000280000000 0.000713000000 0.000000000000 0.000000000000
0.000446000000 -0.000094000000 0.000191000000 -0.000363000000 0.000281000000 -0.001333000000 0.000000000000 0.000000000000
0.004338000000 -0.000768000000 0.002515000000 -0.006769000000 0.014106000000 0.057727000000 0.000000000000 0.000000000000
-0.024735000000 0.004507000000 -0.012760000000 0.031475000000 -0.058681000000 -0.207563000000 0.000000000000 0.000000000000
0.078371000000 -0.015080000000 0.038423000000 -0.090452000000 0.150642000000 0.375802000000 0.000000000000 0.000000000000
-0.280941000000 0.059732000000 -0.164687000000 0.452694000000 -0.916887000000 -2.248893000000 0.000000000000 0.000000000000
-0.193332000000 0.036767000000 -0.055471000000 0.022129000000 0.376241000000 2.537798000000 0.000000000000 0.000000000000
0.408836000000 -0.095959000000 0.265321000000 -1.086665000000 2.988122000000 2.991975000000 0.000000000000 0.000000000000
0.591644000000 -0.160032000000 0.566659000000 -0.928633000000 -2.856378000000 -7.934876000000 0.000000000000 0.000000000000
0.263543000000 -0.155412000000 -0.087979000000 2.044646000000 -0.876303000000 6.756177000000 0.000000000000 0.000000000000
0.019873000000 -0.015239000000 -1.020025000000 0.799138000000 3.845249000000 -2.758986000000 0.000000000000 0.000000000000
-0.006602000000 0.312267000000 -0.361174000000 -1.913043000000 -2.303327000000 -1.201282000000 0.000000000000 0.000000000000
0.002173000000 0.524175000000 0.279474000000 -0.206277000000 -1.412039000000 3.472569000000 0.000000000000 0.000000000000
-0.000398000000 0.299658000000 0.834383000000 0.987626000000 1.406804000000 -1.797940000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
994.784000000000 233.574000000000 49.335500000000 24.622100000000 14.586100000000 5.149290000000 2.764270000000 1.443590000000 0.729025000000 0.315457000000 0.142026000000 0.063727000000 0.028238000000 0.012500000000
0.000046000000 0.000010000000 -0.000021000000 -0.000053000000 0.000136000000 0.000485000000 0.000000000000 0.000000000000
0.000323000000 0.000067000000 -0.000144000000 -0.000320000000 0.000084000000 -0.001780000000 0.000000000000 0.000000000000
0.007777000000 0.001674000000 -0.003589000000 -0.008584000000 0.019353000000 0.062864000000 0.000000000000 0.000000000000
-0.030225000000 -0.006876000000 0.015610000000 0.043611000000 -0.119527000000 -0.399115000000 0.000000000000 0.000000000000
-0.068047000000 -0.013558000000 0.027793000000 0.054110000000 0.006125000000 0.389774000000 0.000000000000 0.000000000000
0.218079000000 0.052064000000 -0.124731000000 -0.400372000000 0.945685000000 2.115493000000 0.000000000000 0.000000000000
0.391876000000 0.090490000000 -0.203956000000 -0.496573000000 0.244017000000 -3.027962000000 0.000000000000 0.000000000000
0.352823000000 0.096508000000 -0.161605000000 0.094732000000 -1.572639000000 0.286189000000 0.000000000000 0.000000000000
0.164036000000 0.016308000000 0.108717000000 0.961556000000 0.079867000000 2.088935000000 0.000000000000 0.000000000000
0.023659000000 -0.190360000000 0.491985000000 0.234111000000 1.508119000000 -1.738141000000 0.000000000000 0.000000000000
-0.000827000000 -0.412834000000 0.453151000000 -0.723587000000 -0.760170000000 0.108796000000 0.000000000000 0.000000000000
0.000951000000 -0.415467000000 0.098095000000 -0.178909000000 -0.350102000000 0.631350000000 0.000000000000 0.000000000000
-0.000223000000 -0.133120000000 0.002873000000 -0.011297000000 -0.010443000000 -0.034484000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
573.295000000000 173.771000000000 68.386800000000 31.975900000000 15.441800000000 7.784970000000 3.974590000000 2.011830000000 0.996673000000 0.478383000000 0.219149000000 0.092612000000 0.039100000000
0.000112000000 -0.000141000000 0.000167000000 -0.000235000000 -0.000387000000 0.000000000000 0.000000000000
0.001178000000 -0.001491000000 0.001814000000 -0.002771000000 -0.002948000000 0.000000000000 0.000000000000
0.008099000000 -0.010298000000 0.012410000000 -0.018145000000 -0.027143000000 0.000000000000 0.000000000000
0.032069000000 -0.041032000000 0.050382000000 -0.077377000000 -0.090368000000 0.000000000000 0.000000000000
0.084304000000 -0.111092000000 0.140914000000 -0.227286000000 -0.405258000000 0.000000000000 0.000000000000
0.167902000000 -0.224984000000 0.299203000000 -0.505980000000 -0.472184000000 0.000000000000 0.000000000000
0.245275000000 -0.284756000000 0.237931000000 0.189781000000 1.407892000000 0.000000000000 0.000000000000
0.276679000000 -0.138466000000 -0.280774000000 0.963839000000 -0.198209000000 0.000000000000 0.000000000000
0.255087000000 0.178106000000 -0.567559000000 -0.284036000000 -1.414459000000 0.000000000000 0.000000000000
0.193724000000 0.388227000000 -0.079742000000 -0.847792000000 1.173243000000 0.000000000000 0.000000000000
0.108839000000 0.342110000000 0.536441000000 0.336220000000 0.188655000000 0.000000000000 0.000000000000
0.029078000000 0.121498000000 0.330140000000 0.455023000000 -0.661563000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.991000000000 3.917500000000 1.396400000000 0.497700000000 0.177700000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.963000000000 3.144200000000 1.103000000000 0.419000000000
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
6.545900000000 2.084700000000 0.872500000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.926300000000 2.357600000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:aug-cc-pwCVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
6 6 5 3
10 9 8 3
560.088000000000 56.648600000000 35.425800000000 11.054600000000 4.698600000000 2.306820000000 0.951429000000 0.145184000000 0.050325000000 0.017400000000
0.000000000000 0.000637000000 -0.000136000000 0.000000000000 -0.000333000000 0.000000000000
0.000000000000 -0.009735000000 0.001401000000 0.000000000000 0.005930000000 0.000000000000
0.000000000000 0.065793000000 -0.013174000000 0.000000000000 -0.032549000000 0.000000000000
0.000000000000 -0.415035000000 0.095695000000 0.000000000000 0.211071000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.746611000000 -0.211874000000 0.000000000000 -0.730556000000 0.000000000000
0.000000000000 0.462173000000 -0.235944000000 0.000000000000 0.177242000000 0.000000000000
0.000000000000 0.015983000000 0.508115000000 0.000000000000 1.714873000000 0.000000000000
0.000000000000 -0.002767000000 0.621519000000 1.000000000000 -1.604573000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
70.973900000000 17.851000000000 4.931500000000 4.246790000000 1.877600000000 0.793335000000 0.193476000000 0.057393000000 0.017000000000
0.000000000000 0.003682000000 -0.000910000000 -0.000628000000 0.000000000000 0.000000000000
0.000000000000 -0.082128000000 0.029914000000 0.016563000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.375379000000 -0.166094000000 -0.084572000000 0.000000000000 0.000000000000
0.000000000000 0.508409000000 -0.278000000000 -0.141283000000 0.000000000000 0.000000000000
0.000000000000 0.239095000000 0.157584000000 -0.003571000000 0.000000000000 0.000000000000
0.000000000000 0.015850000000 0.830488000000 0.519005000000 0.000000000000 0.000000000000
0.000000000000 -0.002527000000 0.165869000000 0.592475000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
60.380400000000 19.112100000000 6.952880000000 2.792000000000 2.609940000000 0.922567000000 0.283642000000 0.087200000000
0.000000000000 0.017564000000 -0.022286000000 0.000000000000 0.000000000000
0.000000000000 0.099134000000 -0.128274000000 0.000000000000 0.000000000000
0.000000000000 0.271171000000 -0.362797000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.406180000000 -0.325722000000 0.000000000000 0.000000000000
0.000000000000 0.381427000000 0.327087000000 0.000000000000 0.000000000000
0.000000000000 0.200626000000 0.656809000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.330700000000 2.748200000000 0.906600000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Cu:aug-cc-pwCVTZ-PP
Peterson's correlation consistent ECP basis set
5
0 1 2 3 4
8 8 7 4 3
13 12 11 4 3
1946.350000000000 277.945000000000 60.010800000000 37.513800000000 10.968800000000 4.172700000000 2.609100000000 2.335360000000 0.977580000000 0.185887000000 0.094851000000 0.040363000000 0.017200000000
0.000000000000 0.000000000000 0.000173000000 -0.000043000000 -0.000331000000 -0.000085000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000958000000 -0.000173000000 0.000784000000 -0.000418000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.013932000000 0.002182000000 -0.019937000000 0.005125000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.066672000000 -0.013215000000 -0.006473000000 -0.028079000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.414486000000 0.095460000000 0.430463000000 0.206626000000 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 0.731985000000 -0.204892000000 -2.310357000000 -0.676395000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.473559000000 -0.242955000000 2.298199000000 0.006890000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.028860000000 0.212816000000 0.391809000000 1.677159000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.014378000000 0.532073000000 -2.223827000000 -0.459268000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.004862000000 0.387872000000 1.525251000000 -0.988952000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
395.025000000000 64.780800000000 17.833500000000 8.465200000000 4.359580000000 2.178200000000 2.018160000000 0.902312000000 0.312290000000 0.115680000000 0.041745000000 0.015100000000
0.000000000000 0.000000000000 0.000206000000 -0.000122000000 -0.000394000000 -0.000051000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.003872000000 -0.001242000000 -0.001345000000 -0.000700000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.083164000000 0.035216000000 0.079175000000 0.017085000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.346789000000 -0.189485000000 -0.594939000000 -0.081468000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.486762000000 -0.243228000000 -0.410419000000 -0.119801000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.272285000000 0.025234000000 1.041898000000 -0.059962000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.033986000000 0.580129000000 0.343010000000 0.235460000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.003690000000 0.482540000000 -0.839740000000 0.560376000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.001306000000 0.024183000000 -0.032298000000 0.360229000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
134.068000000000 42.240700000000 16.546700000000 7.012270000000 5.941500000000 3.380600000000 3.024460000000 1.264610000000 0.496238000000 0.173134000000 0.060400000000
0.000000000000 0.000000000000 0.002966000000 -0.003679000000 0.004526000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.027330000000 -0.033861000000 0.042325000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.100168000000 -0.128396000000 0.166210000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.231925000000 -0.301124000000 0.403122000000 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 0.339261000000 -0.319748000000 0.071305000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.345225000000 0.084551000000 -0.710888000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.246637000000 0.501878000000 -0.146332000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.091605000000 0.401209000000 0.801266000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.444600000000 3.598300000000 1.284800000000 0.458700000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.618300000000 3.452500000000 1.383100000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Cu:aug-cc-pwCVQZ-PP
Peterson's correlation consistent ECP basis set
6
0 1 2 3 4 5
9 9 8 5 4 3
17 14 14 5 4 3
15508.700000000001 2328.920000000000 523.777000000000 100.368000000000 61.740600000000 38.424800000000 12.034900000000 7.518840000000 5.091300000000 3.191000000000 3.027350000000 1.538200000000 0.743679000000 0.196623000000 0.084827000000 0.036162000000 0.015400000000
0.000000000000 0.000000000000 0.000014000000 -0.000003000000 -0.000014000000 -0.000006000000 -0.000024000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000105000000 -0.000024000000 -0.000130000000 -0.000060000000 -0.000095000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000438000000 -0.000104000000 -0.000377000000 -0.000149000000 -0.000970000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.004637000000 -0.000969000000 -0.007517000000 -0.003986000000 0.005342000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.025466000000 0.005373000000 0.034187000000 0.017814000000 -0.009341000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.077473000000 -0.017051000000 -0.092384000000 -0.044062000000 -0.053619000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.302046000000 0.073562000000 0.494391000000 0.196766000000 0.627586000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.168545000000 0.034859000000 -0.036250000000 0.002901000000 0.000867000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.448025000000 -0.117450000000 -1.147806000000 -0.219395000000 -3.450565000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.594598000000 -0.199782000000 -0.908461000000 -0.720807000000 3.989974000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.225161000000 -0.162814000000 2.422896000000 0.383587000000 -0.654531000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.009316000000 0.264885000000 -0.617402000000 1.309336000000 -2.858257000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.001032000000 0.586938000000 -1.314860000000 -0.238530000000 4.079489000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.001487000000 0.303148000000 1.269415000000 -0.956112000000 -2.038095000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
345.449000000000 56.993000000000 20.399500000000 12.751000000000 9.898000000000 5.034740000000 3.065300000000 2.566200000000 1.277520000000 0.614337000000 0.231197000000 0.091114000000 0.035690000000 0.014000000000
0.000000000000 0.000000000000 0.000251000000 -0.000120000000 -0.000285000000 -0.000370000000 -0.000054000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.005213000000 -0.002214000000 -0.004899000000 -0.008901000000 -0.001076000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 -0.044757000000 0.017412000000 0.025712000000 -0.053967000000 0.008611000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.246420000000 -0.141304000000 -0.445829000000 -1.089979000000 -0.058554000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.431811000000 -0.211472000000 -0.458755000000 0.051820000000 -0.098628000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.344372000000 -0.164021000000 0.217359000000 1.757077000000 -0.100097000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.118781000000 0.246089000000 1.061608000000 -0.987594000000 0.029521000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.009234000000 0.639034000000 -0.286087000000 -0.789394000000 0.334690000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000288000000 0.288320000000 -0.611214000000 0.972521000000 0.530745000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000198000000 0.007501000000 0.006130000000 -0.020221000000 0.256996000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
405.881000000000 123.071000000000 49.217900000000 22.614200000000 10.807800000000 7.118500000000 5.325600000000 4.463200000000 2.621010000000 1.262900000000 0.588137000000 0.260214000000 0.105338000000 0.042600000000
0.000000000000 0.000000000000 0.000249000000 -0.000304000000 -0.000576000000 0.000363000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.002618000000 -0.003254000000 -0.005611000000 0.003938000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.017001000000 -0.021073000000 -0.039895000000 0.025527000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.055480000000 -0.070167000000 -0.130629000000 0.086828000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.134533000000 -0.175726000000 -0.420466000000 0.231359000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.231312000000 -0.289547000000 -0.275537000000 0.338251000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.291540000000 -0.235714000000 0.875422000000 -0.048658000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.286333000000 0.074171000000 0.309468000000 -0.591837000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.220476000000 0.373283000000 -0.998781000000 -0.288850000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.118573000000 0.398469000000 0.072181000000 0.487168000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.029020000000 0.167165000000 0.593602000000 0.432394000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.616500000000 4.960000000000 2.117800000000 0.744200000000 0.261500000000
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
10.218900000000 4.466200000000 1.787100000000 0.715100000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.933700000000 3.767600000000 1.588900000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Cu:aug-cc-pwCV5Z-PP
Peterson's correlation consistent ECP basis set
7
0 1 2 3 4 5 6
10 10 9 6 5 4 3
19 16 15 6 5 4 3
47481.000000000000 7116.860000000000 1608.280000000000 444.841000000000 97.809000000000 60.861800000000 37.893200000000 12.303900000000 7.695680000000 5.869400000000 3.678200000000 3.130580000000 1.619540000000 0.797112000000 0.267808000000 0.147986000000 0.068738000000 0.031588000000 0.014500000000
0.000000000000 0.000000000000 0.000004000000 -0.000001000000 -0.000004000000 0.000012000000 0.000006000000 0.000002000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000027000000 -0.000006000000 -0.000026000000 -0.000007000000 0.000030000000 0.000012000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000134000000 -0.000026000000 -0.000168000000 0.000713000000 0.000280000000 0.000070000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000446000000 -0.000094000000 -0.000363000000 -0.001333000000 0.000281000000 0.000191000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.004338000000 -0.000768000000 -0.006769000000 0.057727000000 0.014106000000 0.002515000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.024735000000 0.004507000000 0.031475000000 -0.207563000000 -0.058681000000 -0.012760000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.078371000000 -0.015080000000 -0.090452000000 0.375802000000 0.150642000000 0.038423000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.280941000000 0.059732000000 0.452694000000 -2.248893000000 -0.916887000000 -0.164687000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.193332000000 0.036767000000 0.022129000000 2.537798000000 0.376241000000 -0.055471000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.408836000000 -0.095959000000 -1.086665000000 2.991975000000 2.988122000000 0.265321000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.591644000000 -0.160032000000 -0.928633000000 -7.934876000000 -2.856378000000 0.566659000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.263543000000 -0.155412000000 2.044646000000 6.756177000000 -0.876303000000 -0.087979000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.019873000000 -0.015239000000 0.799138000000 -2.758986000000 3.845249000000 -1.020025000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.006602000000 0.312267000000 -1.913043000000 -1.201282000000 -2.303327000000 -0.361174000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.002173000000 0.524175000000 -0.206277000000 3.472569000000 -1.412039000000 0.279474000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000398000000 0.299658000000 0.987626000000 -1.797940000000 1.406804000000 0.834383000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
994.784000000000 233.574000000000 49.335500000000 24.622100000000 14.586100000000 11.072400000000 5.149290000000 4.159800000000 2.764270000000 1.443590000000 0.729025000000 0.315457000000 0.142026000000 0.063727000000 0.028238000000 0.012500000000
0.000000000000 0.000000000000 0.000046000000 -0.000021000000 -0.000053000000 0.000485000000 0.000136000000 0.000010000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000323000000 -0.000144000000 -0.000320000000 -0.001780000000 0.000084000000 0.000067000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.007777000000 -0.003589000000 -0.008584000000 0.062864000000 0.019353000000 0.001674000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.030225000000 0.015610000000 0.043611000000 -0.399115000000 -0.119527000000 -0.006876000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.068047000000 0.027793000000 0.054110000000 0.389774000000 0.006125000000 -0.013558000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.218079000000 -0.124731000000 -0.400372000000 2.115493000000 0.945685000000 0.052064000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.391876000000 -0.203956000000 -0.496573000000 -3.027962000000 0.244017000000 0.090490000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.352823000000 -0.161605000000 0.094732000000 0.286189000000 -1.572639000000 0.096508000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.164036000000 0.108717000000 0.961556000000 2.088935000000 0.079867000000 0.016308000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.023659000000 0.491985000000 0.234111000000 -1.738141000000 1.508119000000 -0.190360000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000827000000 0.453151000000 -0.723587000000 0.108796000000 -0.760170000000 -0.412834000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000951000000 0.098095000000 -0.178909000000 0.631350000000 -0.350102000000 -0.415467000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000223000000 0.002873000000 -0.011297000000 -0.034484000000 -0.010443000000 -0.133120000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
573.295000000000 173.771000000000 68.386800000000 31.975900000000 15.441800000000 9.471100000000 7.784970000000 5.940500000000 3.974590000000 2.011830000000 0.996673000000 0.478383000000 0.219149000000 0.092612000000 0.039100000000
0.000000000000 0.000000000000 0.000112000000 -0.000141000000 -0.000235000000 0.000167000000 -0.000387000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.001178000000 -0.001491000000 -0.002771000000 0.001814000000 -0.002948000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.008099000000 -0.010298000000 -0.018145000000 0.012410000000 -0.027143000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.032069000000 -0.041032000000 -0.077377000000 0.050382000000 -0.090368000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.084304000000 -0.111092000000 -0.227286000000 0.140914000000 -0.405258000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.167902000000 -0.224984000000 -0.505980000000 0.299203000000 -0.472184000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.245275000000 -0.284756000000 0.189781000000 0.237931000000 1.407892000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.276679000000 -0.138466000000 0.963839000000 -0.280774000000 -0.198209000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.255087000000 0.178106000000 -0.284036000000 -0.567559000000 -1.414459000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.193724000000 0.388227000000 -0.847792000000 -0.079742000000 1.173243000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.108839000000 0.342110000000 0.336220000000 0.536441000000 0.188655000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.029078000000 0.121498000000 0.455023000000 0.330140000000 -0.661563000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.410800000000 6.615800000000 3.037200000000 1.394300000000 0.497700000000 0.177700000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.549500000000 6.036700000000 2.903800000000 1.103000000000 0.419000000000
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
10.568800000000 4.981200000000 2.084700000000 0.872500000000
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
10.293900000000 4.926300000000 2.357600000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Cu:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 3 2
14 9 5
76381.348056000003 11468.777499000000 2609.424649500000 736.750330980000 239.824199580000 82.656829252000 160.135441960000 18.834177695000 7.717659574100 13.710846717000 2.234989567000 0.878183600690 0.087187458064 0.032969114665
0.001433607990 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010986749865 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054513652465 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.189901282580 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.385819592110 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.297906074980 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.111467785670 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.653493010310 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.447705344210 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.228709111220 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.734644230310 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.432730708740 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
991.240757820000 233.693761160000 74.020930927000 26.664967447000 9.919208747800 5.151955392600 1.963820582800 0.715600970370 0.155065000000
0.009387849880 0.000000000000 0.000000000000
0.070208282458 0.000000000000 0.000000000000
0.273235222200 0.000000000000 0.000000000000
0.535807927280 0.000000000000 0.000000000000
0.345757949060 0.000000000000 0.000000000000
0.000000000000 0.342291080830 0.000000000000
0.000000000000 0.564565924840 0.000000000000
0.000000000000 0.240785843180 0.000000000000
0.000000000000 0.000000000000 1.000000000000
47.335049590000 13.161666077000 4.369377724400 1.413292510900 0.388780014520
0.032375547758 0.000000000000
0.168102186840 0.000000000000
0.384777079820 0.000000000000
0.461478801780 0.000000000000
0.000000000000 0.323888732580
Cu:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
5 3 2 1
14 9 5 1
76381.348056000003 11468.777499000000 2609.424649500000 736.750330980000 239.824199580000 82.656829252000 160.135441960000 18.834177695000 7.717659574100 13.710846717000 2.234989567000 0.878183600690 0.087187458064 0.032969114665
0.001433607990 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010986749865 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054513652465 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.189901282580 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.385819592110 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.297906074980 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.111467785670 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.653493010310 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.447705344210 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.228709111220 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.734644230310 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.432730708740 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
991.240757820000 233.693761160000 74.020930927000 26.664967447000 9.919208747800 5.151955392600 1.963820582800 0.715600970370 0.155065000000
0.009387849880 0.000000000000 0.000000000000
0.070208282458 0.000000000000 0.000000000000
0.273235222200 0.000000000000 0.000000000000
0.535807927280 0.000000000000 0.000000000000
0.345757949060 0.000000000000 0.000000000000
0.000000000000 0.342291080830 0.000000000000
0.000000000000 0.564565924840 0.000000000000
0.000000000000 0.240785843180 0.000000000000
0.000000000000 0.000000000000 1.000000000000
47.335049590000 13.161666077000 4.369377724400 1.413292510900 0.388780014520
0.032375547758 0.000000000000
0.168102186840 0.000000000000
0.384777079820 0.000000000000
0.461478801780 0.000000000000
0.000000000000 0.323888732580
2.233000000000
1.000000000000
Cu:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 4 4 1
17 11 7 1
377518.799230000004 56589.984311000000 12878.711706000000 3645.375214300000 1187.007294500000 426.464219020000 165.706601640000 65.598942707000 414.412658110000 128.320560390000 20.622089750000 8.782122604500 13.741372006000 2.243124683300 0.893705490790 0.108366995340 0.038806178058
0.000228117661 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001768803593 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009199346023 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.037411016434 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.121898737370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.289839007140 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.415318721740 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.219057992870 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024682525053 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.117168274060 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.553013159410 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.522427186090 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.227360618210 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.717612108730 0.000000000000 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
2034.759669200000 481.904681060000 154.674829630000 57.740576969000 23.099052811000 9.388247859100 37.596171210000 5.124069081000 2.011999608500 0.738606860020 0.155065000000
0.002352482230 0.000000000000 0.000000000000 0.000000000000
0.019134070751 0.000000000000 0.000000000000 0.000000000000
0.090171105278 0.000000000000 0.000000000000 0.000000000000
0.260632847350 0.000000000000 0.000000000000 0.000000000000
0.420934857700 0.000000000000 0.000000000000 0.000000000000
0.243446151210 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028991094530 0.000000000000 0.000000000000
0.000000000000 0.549190838310 0.000000000000 0.000000000000
0.000000000000 0.937933304880 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
74.129460637000 21.359842587000 7.499524053700 2.760139416900 0.953620612360 0.284208625200 0.085000000000
0.014363216676 0.000000000000 0.000000000000 0.000000000000
0.086628177096 0.000000000000 0.000000000000 0.000000000000
0.256314305410 0.000000000000 0.000000000000 0.000000000000
0.403740623680 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.394270424470 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.230911468160 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.233000000000
1.000000000000
Cu:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 5 4 2 1
17 12 7 2 1
377518.799230000004 56589.984311000000 12878.711706000000 3645.375214300000 1187.007294500000 426.464219020000 165.706601640000 65.598942707000 414.412658110000 128.320560390000 20.622089750000 8.782122604500 13.741372006000 2.243124683300 0.893705490790 0.108366995340 0.038806178058
0.000228117661 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001768803593 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009199346023 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.037411016434 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.121898737370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.289839007140 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.415318721740 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.219057992870 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024682525053 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.117168274060 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.553013159410 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.522427186090 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.227360618210 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.717612108730 0.000000000000 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
2034.759669200000 481.904681060000 154.674829630000 57.740576969000 23.099052811000 9.388247859100 37.596171210000 5.124069081000 2.011999608500 0.738606860020 0.271100000000 0.099540000000
0.002352482230 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019134070751 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.090171105278 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.260632847350 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.420934857700 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.243446151210 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028991094530 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.549190838310 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.937933304880 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
74.129460637000 21.359842587000 7.499524053700 2.760139416900 0.953620612360 0.284208625200 0.085000000000
0.014363216676 0.000000000000 0.000000000000 0.000000000000
0.086628177096 0.000000000000 0.000000000000 0.000000000000
0.256314305410 0.000000000000 0.000000000000 0.000000000000
0.403740623680 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.394270424470 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.230911468160 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.209000000000 4.936000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
3.245000000000
1.000000000000
Cu:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 3 1
24 18 10 3 1
5056467.889800000004 759457.838349999976 173524.884970000014 49327.259987999998 16144.149930000000 5844.596468000000 2284.681273900000 948.882325140000 413.662154550000 187.389420590000 86.872771648000 1744.059828700000 540.932955130000 207.997362240000 90.475793036000 38.869687699000 18.974829147000 9.095364463500 3.833002017400 1.819889149900 0.790680983930 0.149141421060 0.072448090592 0.030959925368
0.000009350192 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000072323443 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000378138338 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001587012986 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005722068529 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.018268390048 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.051893720863 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.127961923660 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.256298910360 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.360644161380 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.268336646600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.008858707914 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.086522785813 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.389322852580 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.697771999020 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9720.461455500001 2302.755745200000 747.484983140000 285.001326230000 120.151216090000 54.145261156000 25.406033563000 12.224331465000 5.763872066800 83.210837217000 29.694779129000 5.824851620600 2.674618118000 1.184183677500 0.480435835350 0.187000000000 0.076200000000 0.031000000000
0.000178288035 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001567810863 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008747009451 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036044549301 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.112872090530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.256473773410 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.385129183790 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.303165123560 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.081677218969 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.006353035999 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.031383834666 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.309300397530 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.635839259380 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.509460459670 0.000000000000 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
249.540250800000 74.683914534000 28.392717116000 11.955968430000 5.321074462400 2.366118945900 1.013186399400 0.407100359400 0.147425410320 0.071000000000
0.001243288124 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010456901995 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.046451241249 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.135413597290 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.258528999780 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.331681276350 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
6.962000000000 2.233000000000 0.704000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.245000000000
1.000000000000
Cu:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 4 2
24 18 10 4 2
5056467.889800000004 759457.838349999976 173524.884970000014 49327.259987999998 16144.149930000000 5844.596468000000 2284.681273900000 948.882325140000 413.662154550000 187.389420590000 86.872771648000 1744.059828700000 540.932955130000 207.997362240000 90.475793036000 38.869687699000 18.974829147000 9.095364463500 3.833002017400 1.819889149900 0.790680983930 0.149141421060 0.072448090592 0.030959925368
0.000009350192 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000072323443 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000378138338 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001587012986 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005722068529 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.018268390048 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.051893720863 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.127961923660 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.256298910360 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.360644161380 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.268336646600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.008858707914 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.086522785813 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.389322852580 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.697771999020 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9720.461455500001 2302.755745200000 747.484983140000 285.001326230000 120.151216090000 54.145261156000 25.406033563000 12.224331465000 5.763872066800 83.210837217000 29.694779129000 5.824851620600 2.674618118000 1.184183677500 0.480435835350 0.187000000000 0.076200000000 0.031000000000
0.000178288035 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001567810863 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008747009451 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036044549301 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.112872090530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.256473773410 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.385129183790 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.303165123560 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.081677218969 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.006353035999 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.031383834666 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.309300397530 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.635839259380 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.509460459670 0.000000000000 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
249.540250800000 74.683914534000 28.392717116000 11.955968430000 5.321074462400 2.366118945900 1.013186399400 0.407100359400 0.147425410320 0.071000000000
0.001243288124 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010456901995 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.046451241249 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.135413597290 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.258528999780 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.331681276350 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
6.962000000000 2.233000000000 0.704000000000 0.240000000000
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
5.953000000000 1.768000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:def2-SVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
5 4 2 1
14 10 5 1
76381.348056000003 11468.777499000000 2609.424649500000 736.750330980000 239.824199580000 82.656829252000 160.135441960000 18.834177695000 7.717659574100 13.710846717000 2.234989567000 0.878183600690 0.087187458064 0.032969114665
0.001433607990 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010986749865 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054513652465 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.189901282580 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.385819592110 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.297906074980 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.111467785670 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.653493010310 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.447705344210 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.228709111220 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.734644230310 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.432730708740 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
991.240757820000 233.693761160000 74.020930927000 26.664967447000 9.919208747800 5.151955392600 1.963820582800 0.715600970370 0.155065000000 0.038734214974
0.009387849880 0.000000000000 0.000000000000 0.000000000000
0.070208282458 0.000000000000 0.000000000000 0.000000000000
0.273235222200 0.000000000000 0.000000000000 0.000000000000
0.535807927280 0.000000000000 0.000000000000 0.000000000000
0.345757949060 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.342291080830 0.000000000000 0.000000000000
0.000000000000 0.564565924840 0.000000000000 0.000000000000
0.000000000000 0.240785843180 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
47.335049590000 13.161666077000 4.369377724400 1.413292510900 0.388780014520
0.032375547758 0.000000000000
0.168102186840 0.000000000000
0.384777079820 0.000000000000
0.461478801780 0.000000000000
0.000000000000 0.323888732580
2.233000000000
1.000000000000
Cu:def2-TZVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 5 4 1
17 12 7 1
377518.799230000004 56589.984311000000 12878.711706000000 3645.375214300000 1187.007294500000 426.464219020000 165.706601640000 65.598942707000 414.412658110000 128.320560390000 20.622089750000 8.782122604500 13.741372006000 2.243124683300 0.893705490790 0.108366995340 0.038806178058
0.000228117661 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001768803593 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009199346023 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.037411016434 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.121898737370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.289839007140 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.415318721740 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.219057992870 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024682525053 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.117168274060 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.553013159410 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.522427186090 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.227360618210 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.717612108730 0.000000000000 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
2034.759669200000 481.904681060000 154.674829630000 57.740576969000 23.099052811000 9.388247859100 37.596171210000 5.124069081000 2.011999608500 0.738606860020 0.155065000000 0.034015997020
0.002352482230 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019134070751 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.090171105278 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.260632847350 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.420934857700 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.243446151210 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028991094530 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.549190838310 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.937933304880 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
74.129460637000 21.359842587000 7.499524053700 2.760139416900 0.953620612360 0.284208625200 0.085000000000
0.014363216676 0.000000000000 0.000000000000 0.000000000000
0.086628177096 0.000000000000 0.000000000000 0.000000000000
0.256314305410 0.000000000000 0.000000000000 0.000000000000
0.403740623680 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.394270424470 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.230911468160 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.233000000000
1.000000000000
Cu:def2-TZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 6 4 2 1
17 13 7 2 1
377518.799230000004 56589.984311000000 12878.711706000000 3645.375214300000 1187.007294500000 426.464219020000 165.706601640000 65.598942707000 414.412658110000 128.320560390000 20.622089750000 8.782122604500 13.741372006000 2.243124683300 0.893705490790 0.108366995340 0.038806178058
0.000228117661 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001768803593 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009199346023 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.037411016434 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.121898737370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.289839007140 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.415318721740 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.219057992870 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024682525053 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.117168274060 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.553013159410 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.522427186090 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.227360618210 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.717612108730 0.000000000000 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
2034.759669200000 481.904681060000 154.674829630000 57.740576969000 23.099052811000 9.388247859100 37.596171210000 5.124069081000 2.011999608500 0.738606860020 0.271100000000 0.099540000000 0.034015997020
0.002352482230 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019134070751 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.090171105278 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.260632847350 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.420934857700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.243446151210 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028991094530 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.549190838310 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.937933304880 0.000000000000 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
74.129460637000 21.359842587000 7.499524053700 2.760139416900 0.953620612360 0.284208625200 0.085000000000
0.014363216676 0.000000000000 0.000000000000 0.000000000000
0.086628177096 0.000000000000 0.000000000000 0.000000000000
0.256314305410 0.000000000000 0.000000000000 0.000000000000
0.403740623680 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.394270424470 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.230911468160 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.209000000000 4.936000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
3.245000000000
1.000000000000
Cu:def2-QZVPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 3 1
24 18 10 3 1
5056467.889800000004 759457.838349999976 173524.884970000014 49327.259987999998 16144.149930000000 5844.596468000000 2284.681273900000 948.882325140000 413.662154550000 187.389420590000 86.872771648000 1744.059828700000 540.932955130000 207.997362240000 90.475793036000 38.869687699000 18.974829147000 9.095364463500 3.833002017400 1.819889149900 0.790680983930 0.149141421060 0.072448090592 0.030959925368
0.000009350192 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000072323443 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000378138338 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001587012986 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005722068529 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.018268390048 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.051893720863 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.127961923660 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.256298910360 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.360644161380 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.268336646600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.008858707914 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.086522785813 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.389322852580 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.697771999020 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9720.461455500001 2302.755745200000 747.484983140000 285.001326230000 120.151216090000 54.145261156000 25.406033563000 12.224331465000 5.763872066800 83.210837217000 29.694779129000 5.824851620600 2.674618118000 1.184183677500 0.480435835350 0.187000000000 0.076200000000 0.031000000000
0.000178288035 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001567810863 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008747009451 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036044549301 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.112872090530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.256473773410 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.385129183790 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.303165123560 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.081677218969 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.006353035999 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.031383834666 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.309300397530 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.635839259380 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.509460459670 0.000000000000 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
249.540250800000 74.683914534000 28.392717116000 11.955968430000 5.321074462400 2.366118945900 1.013186399400 0.407100359400 0.147425410320 0.071000000000
0.001243288124 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010456901995 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.046451241249 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.135413597290 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.258528999780 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.331681276350 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
6.962000000000 2.233000000000 0.704000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.245000000000
1.000000000000
Cu:def2-QZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 4 2
24 18 10 4 2
5056467.889800000004 759457.838349999976 173524.884970000014 49327.259987999998 16144.149930000000 5844.596468000000 2284.681273900000 948.882325140000 413.662154550000 187.389420590000 86.872771648000 1744.059828700000 540.932955130000 207.997362240000 90.475793036000 38.869687699000 18.974829147000 9.095364463500 3.833002017400 1.819889149900 0.790680983930 0.149141421060 0.072448090592 0.030959925368
0.000009350192 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000072323443 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000378138338 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001587012986 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005722068529 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.018268390048 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.051893720863 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.127961923660 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.256298910360 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.360644161380 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.268336646600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.008858707914 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.086522785813 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.389322852580 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.697771999020 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9720.461455500001 2302.755745200000 747.484983140000 285.001326230000 120.151216090000 54.145261156000 25.406033563000 12.224331465000 5.763872066800 83.210837217000 29.694779129000 5.824851620600 2.674618118000 1.184183677500 0.480435835350 0.187000000000 0.076200000000 0.031000000000
0.000178288035 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001567810863 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008747009451 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036044549301 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.112872090530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.256473773410 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.385129183790 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.303165123560 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.081677218969 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.006353035999 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.031383834666 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.309300397530 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.635839259380 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.509460459670 0.000000000000 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
249.540250800000 74.683914534000 28.392717116000 11.955968430000 5.321074462400 2.366118945900 1.013186399400 0.407100359400 0.147425410320 0.071000000000
0.001243288124 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010456901995 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.046451241249 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.135413597290 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.258528999780 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.331681276350 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
6.962000000000 2.233000000000 0.704000000000 0.240000000000
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
5.953000000000 1.768000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:LANL2DZ
Hay and Wadt's LANL2DZ Gaussian basis set
3
0 1 2
3 3 2
5 5 5
8.176000000000 2.568000000000 0.958700000000 0.115300000000 0.039600000000
-0.421026000000 0.178766500000 0.000000000000
0.738592400000 -0.359227300000 0.000000000000
0.552569200000 -0.470482500000 0.000000000000
0.000000000000 1.080740700000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
25.630000000000 3.166000000000 1.023000000000 0.086000000000 0.024000000000
-0.048917300000 0.000000000000 0.000000000000
0.627285400000 0.000000000000 0.000000000000
0.471618800000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
41.340000000000 11.420000000000 3.839000000000 1.230000000000 0.310200000000
0.046542400000 0.000000000000
0.222782400000 0.000000000000
0.453905900000 0.000000000000
0.531476900000 0.000000000000
0.000000000000 1.000000000000
Cu:cc-pVDZ-PP-RI
Hattig's auxiliary basis set
6
0 1 2 3 4 5
8 8 6 6 5 2
8 8 6 6 5 2
19.307700000000 5.178230000000 11.045100000000 2.097750000000 1.095010000000 0.480172000000 0.242373000000 0.115569000000
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
16.756300000000 11.293700000000 5.963090000000 2.612440000000 1.288090000000 0.506623000000 0.279427000000 0.131776000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.643700000000 7.959450000000 3.696770000000 1.733470000000 0.735650000000 0.384588000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.058000000000 4.612260000000 2.515670000000 1.171070000000 0.551180000000 0.244467000000
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
29.605900000000 10.985700000000 4.646810000000 1.887130000000 0.667009000000
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
9.000250000000 4.187270000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:cc-pVTZ-PP-RI
Hattig's auxiliary basis set
7
0 1 2 3 4 5 6
10 10 9 7 6 3 2
10 10 9 7 6 3 2
23.424100000000 12.213700000000 6.302550000000 3.285240000000 1.927870000000 0.938420000000 0.434583000000 0.220691000000 0.102256000000 0.061337300000
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
22.552700000000 12.164700000000 6.842580000000 3.174570000000 1.645200000000 0.889082000000 0.520351000000 0.311852000000 0.165501000000 0.082921600000
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
17.913700000000 11.354500000000 5.504920000000 3.074560000000 1.507450000000 0.752260000000 0.462323000000 0.257015000000 0.140390000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
13.696100000000 7.070090000000 4.131130000000 1.908610000000 0.907243000000 0.419937000000 0.212722000000
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
24.118800000000 8.944370000000 5.121390000000 2.363250000000 1.106180000000 0.517776000000
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
10.857900000000 5.579070000000 2.270730000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
10.105100000000 5.005240000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:cc-pVQZ-PP-RI
Hattig's auxiliary basis set
8
0 1 2 3 4 5 6 7
11 11 10 8 7 5 3 2
11 11 10 8 7 5 3 2
26.034100000000 15.776700000000 9.955900000000 6.172030000000 3.235410000000 1.532920000000 0.805891000000 0.412438000000 0.201340000000 0.111715000000 0.061494300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
26.380400000000 16.241100000000 9.513340000000 4.621900000000 2.869330000000 1.552500000000 0.898939000000 0.520825000000 0.310679000000 0.160996000000 0.079563200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
23.773500000000 14.612400000000 8.308170000000 4.002610000000 2.715060000000 1.484970000000 0.762042000000 0.442048000000 0.256528000000 0.146063000000
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
14.892200000000 10.386800000000 5.515330000000 3.355540000000 1.559990000000 0.935799000000 0.452255000000 0.245211000000
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
27.559400000000 10.612800000000 6.879710000000 3.530940000000 1.808000000000 0.699672000000 0.338916000000
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
16.395400000000 8.447960000000 4.683240000000 2.802440000000 1.295580000000
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
11.311400000000 6.114710000000 2.854920000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
8.869820000000 5.017870000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:cc-pV5Z-PP-RI
Hattig's auxiliary basis set
9
0 1 2 3 4 5 6 7 8
12 12 11 10 9 6 5 3 2
12 12 11 10 9 6 5 3 2
35.485800000000 19.636300000000 11.819500000000 7.126660000000 4.196450000000 2.284980000000 1.182620000000 0.629883000000 0.319176000000 0.153878000000 0.084613800000 0.046707400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
34.680200000000 18.786200000000 11.466000000000 6.936070000000 3.630670000000 2.248300000000 1.201060000000 0.684211000000 0.390412000000 0.231376000000 0.120098000000 0.059732600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
30.353500000000 18.352400000000 11.009900000000 5.891280000000 3.282330000000 2.140610000000 1.114140000000 0.570481000000 0.328284000000 0.191770000000 0.111262000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
30.011600000000 18.599800000000 11.547800000000 7.271470000000 4.042450000000 2.379320000000 1.288370000000 0.700094000000 0.346304000000 0.197791000000
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
42.224300000000 17.878000000000 11.928200000000 6.640700000000 4.240010000000 2.224170000000 1.214010000000 0.539847000000 0.304775000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
21.616300000000 11.709600000000 6.773170000000 4.297390000000 2.282810000000 0.938732000000
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
17.147800000000 9.342110000000 5.697310000000 3.414730000000 1.718450000000
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
12.813400000000 6.987510000000 3.179670000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
9.455740000000 6.180290000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:aug-cc-pVDZ-PP-RI
Hattig's auxiliary basis set
6
0 1 2 3 4 5
9 9 7 7 6 3
9 9 7 7 6 3
19.307700000000 5.178230000000 11.045100000000 2.097750000000 1.095010000000 0.480172000000 0.242373000000 0.115569000000 0.055704100000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
16.756300000000 11.293700000000 5.963090000000 2.612440000000 1.288090000000 0.506623000000 0.279427000000 0.131776000000 0.064987200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.643700000000 7.959450000000 3.696770000000 1.733470000000 0.735650000000 0.384588000000 0.145461000000
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
11.058000000000 4.612260000000 2.515670000000 1.171070000000 0.551180000000 0.244467000000 0.121799000000
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
29.605900000000 10.985700000000 4.646810000000 1.887130000000 0.667009000000 0.321548000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.000250000000 4.187270000000 1.663270000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Cu:aug-cc-pVTZ-PP-RI
Hattig's auxiliary basis set
7
0 1 2 3 4 5 6
11 11 10 8 7 4 3
11 11 10 8 7 4 3
23.424100000000 12.213700000000 6.302550000000 3.285240000000 1.927870000000 0.938420000000 0.434583000000 0.220691000000 0.102256000000 0.061337300000 0.033151300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
22.552700000000 12.164700000000 6.842580000000 3.174570000000 1.645200000000 0.889082000000 0.520351000000 0.311852000000 0.165501000000 0.082921600000 0.040345600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.913700000000 11.354500000000 5.504920000000 3.074560000000 1.507450000000 0.752260000000 0.462323000000 0.257015000000 0.140390000000 0.073775200000
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
13.696100000000 7.070090000000 4.131130000000 1.908610000000 0.907243000000 0.419937000000 0.212722000000 0.121629000000
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
24.118800000000 8.944370000000 5.121390000000 2.363250000000 1.106180000000 0.517776000000 0.242358000000
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
10.857900000000 5.579070000000 2.270730000000 0.916677000000
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
10.105100000000 5.005240000000 2.237090000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Cu:aug-cc-pVQZ-PP-RI
Hattig's auxiliary basis set
8
0 1 2 3 4 5 6 7
12 12 11 9 8 6 4 3
12 12 11 9 8 6 4 3
26.034100000000 15.776700000000 9.955900000000 6.172030000000 3.235410000000 1.532920000000 0.805891000000 0.412438000000 0.201340000000 0.111715000000 0.061494300000 0.030702700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
26.380400000000 16.241100000000 9.513340000000 4.621900000000 2.869330000000 1.552500000000 0.898939000000 0.520825000000 0.310679000000 0.160996000000 0.079563200000 0.040005500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
23.773500000000 14.612400000000 8.308170000000 4.002610000000 2.715060000000 1.484970000000 0.762042000000 0.442048000000 0.256528000000 0.146063000000 0.070093300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.892200000000 10.386800000000 5.515330000000 3.355540000000 1.559990000000 0.935799000000 0.452255000000 0.245211000000 0.124208000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
27.559400000000 10.612800000000 6.879710000000 3.530940000000 1.808000000000 0.699672000000 0.338916000000 0.190480000000
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
16.395400000000 8.447960000000 4.683240000000 2.802440000000 1.295580000000 0.581420000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.311400000000 6.114710000000 2.854920000000 1.245600000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.869820000000 5.017870000000 2.433250000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Cu:aug-cc-pV5Z-PP-RI
Hattig's auxiliary basis set
9
0 1 2 3 4 5 6 7 8
13 13 12 11 10 7 6 4 3
13 13 12 11 10 7 6 4 3
35.485800000000 19.636300000000 11.819500000000 7.126660000000 4.196450000000 2.284980000000 1.182620000000 0.629883000000 0.319176000000 0.153878000000 0.084613800000 0.046707400000 0.023288900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
34.680200000000 18.786200000000 11.466000000000 6.936070000000 3.630670000000 2.248300000000 1.201060000000 0.684211000000 0.390412000000 0.231376000000 0.120098000000 0.059732600000 0.029883500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
30.353500000000 18.352400000000 11.009900000000 5.891280000000 3.282330000000 2.140610000000 1.114140000000 0.570481000000 0.328284000000 0.191770000000 0.111262000000 0.055680900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
30.011600000000 18.599800000000 11.547800000000 7.271470000000 4.042450000000 2.379320000000 1.288370000000 0.700094000000 0.346304000000 0.197791000000 0.094777800000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
42.224300000000 17.878000000000 11.928200000000 6.640700000000 4.240010000000 2.224170000000 1.214010000000 0.539847000000 0.304775000000 0.151113000000
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
21.616300000000 11.709600000000 6.773170000000 4.297390000000 2.282810000000 0.938732000000 0.455989000000
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
17.147800000000 9.342110000000 5.697310000000 3.414730000000 1.718450000000 0.787270000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.813400000000 6.987510000000 3.179670000000 1.457460000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.455740000000 6.180290000000 3.327230000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Cu:aug-cc-pwCVTZ-RI
Hattig's auxiliary basis set
7
0 1 2 3 4 5 6
15 14 12 11 9 6 4
15 14 12 11 9 6 4
1311.360000000000 462.668000000000 131.613000000000 60.888400000000 35.385200000000 15.274500000000 9.563890000000 5.906010000000 3.474380000000 1.483210000000 0.734206000000 0.315794000000 0.131784000000 0.084260000000 0.050334000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
584.414000000000 229.925000000000 60.407200000000 25.028800000000 13.203500000000 8.113900000000 4.432270000000 2.988000000000 1.550420000000 0.900181000000 0.465420000000 0.198723000000 0.090875000000 0.047895000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
261.358000000000 84.365000000000 35.341200000000 16.035400000000 9.984980000000 5.521870000000 3.890540000000 2.008290000000 1.012830000000 0.624900000000 0.260811000000 0.119152000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
114.335000000000 42.169900000000 20.590500000000 10.557700000000 6.708670000000 4.121650000000 2.143600000000 1.299920000000 0.664128000000 0.329541000000 0.166860000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
49.104600000000 20.153500000000 11.812100000000 6.689890000000 4.621310000000 2.385310000000 1.097590000000 0.442411000000 0.289729000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
24.388200000000 12.168400000000 7.015330000000 4.611660000000 2.074770000000 0.911743000000
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
16.787900000000 10.099300000000 5.051650000000 2.331340000000
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
Cu:aug-cc-pwCVDZ-PP-RI
Hattig's auxiliary basis set
6
0 1 2 3 4 5
10 10 8 8 7 4
10 10 8 8 7 4
22.054400000000 5.977350000000 3.498320000000 11.045100000000 2.097750000000 1.095010000000 0.480172000000 0.242373000000 0.115569000000 0.055704100000
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
31.763100000000 14.293400000000 6.779180000000 3.830850000000 2.612440000000 1.288090000000 0.506623000000 0.279427000000 0.131776000000 0.064987200000
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
19.192100000000 8.911950000000 6.724450000000 3.696770000000 1.733470000000 0.735650000000 0.384588000000 0.145461000000
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
23.301700000000 10.014300000000 4.612260000000 2.515670000000 1.171070000000 0.551180000000 0.244467000000 0.121799000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
33.945900000000 13.683300000000 8.711680000000 4.646810000000 1.887130000000 0.667009000000 0.321548000000
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
16.305100000000 9.000250000000 4.187270000000 1.663270000000
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
Cu:aug-cc-pwCVTZ-PP-RI
Hattig's auxiliary basis set
7
0 1 2 3 4 5 6
13 13 12 10 8 5 4
13 13 12 10 8 5 4
36.233800000000 22.393300000000 15.734800000000 10.645800000000 5.993840000000 3.285240000000 1.927870000000 0.938420000000 0.434583000000 0.220691000000 0.102256000000 0.061337300000 0.033151300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
32.139700000000 19.400800000000 13.019600000000 8.928440000000 5.771710000000 3.174570000000 1.645200000000 0.889082000000 0.520351000000 0.311852000000 0.165501000000 0.082921600000 0.040345600000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
33.784700000000 22.174600000000 13.352600000000 8.682680000000 5.504920000000 3.074560000000 1.507450000000 0.752260000000 0.462323000000 0.257015000000 0.140390000000 0.073775200000
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0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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32.721400000000 14.543500000000 9.439560000000 5.669550000000 3.368810000000 1.908610000000 0.907243000000 0.419937000000 0.212722000000 0.121629000000
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0.000000000000 0.000000000000 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
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
37.093600000000 16.118800000000 8.944370000000 5.121390000000 2.363250000000 1.106180000000 0.517776000000 0.242358000000
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
19.113100000000 10.857900000000 5.579070000000 2.270730000000 0.916677000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
16.779900000000 10.105100000000 5.005240000000 2.237090000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 1.000000000000
Cu:aug-cc-pwCVQZ-PP-RI
Hattig's auxiliary basis set
8
0 1 2 3 4 5 6 7
13 13 12 10 10 7 5 4
13 13 12 10 10 7 5 4
39.526100000000 25.157100000000 13.190400000000 7.073510000000 4.893080000000 3.235410000000 1.532920000000 0.805891000000 0.412438000000 0.201340000000 0.111715000000 0.061494300000 0.030702700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
29.979900000000 18.847000000000 13.830800000000 9.730280000000 5.080320000000 2.869330000000 1.552500000000 0.898939000000 0.520825000000 0.310679000000 0.160996000000 0.079563200000 0.040005500000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
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0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
29.152900000000 13.759100000000 9.703550000000 6.294790000000 3.355540000000 1.559990000000 0.935799000000 0.452255000000 0.245211000000 0.124208000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
46.836500000000 18.307500000000 11.768300000000 7.399820000000 4.936140000000 2.858350000000 1.362900000000 0.699672000000 0.338916000000 0.190480000000
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0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 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
23.691600000000 12.322400000000 7.753390000000 4.683240000000 2.802440000000 1.295580000000 0.581420000000
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
18.210600000000 11.043700000000 6.114710000000 2.854920000000 1.245600000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
15.063600000000 8.869820000000 5.017870000000 2.433250000000
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
Cu:aug-cc-pwCV5Z-PP-RI
Hattig's auxiliary basis set
8
0 1 2 3 4 5 6 7
14 14 13 12 11 8 7 9
14 14 13 12 11 8 7 9
42.877000000000 25.462800000000 15.275100000000 9.124890000000 6.052630000000 3.647030000000 2.284980000000 1.182620000000 0.629883000000 0.319176000000 0.153878000000 0.084613800000 0.046707400000 0.023288900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
47.397500000000 27.827300000000 16.362400000000 10.633900000000 6.878640000000 3.630670000000 2.248300000000 1.201060000000 0.684211000000 0.390412000000 0.231376000000 0.120098000000 0.059732600000 0.029883500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
39.851000000000 21.788800000000 12.505400000000 8.082920000000 5.005430000000 3.282330000000 2.140610000000 1.114140000000 0.570481000000 0.328284000000 0.191770000000 0.111262000000 0.055680900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
42.371900000000 23.350000000000 14.096800000000 9.541830000000 6.257460000000 4.042450000000 2.379320000000 1.288370000000 0.700094000000 0.346304000000 0.197791000000 0.094777800000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
59.116400000000 26.462600000000 15.494700000000 9.834300000000 6.419440000000 4.240010000000 2.224170000000 1.214010000000 0.539847000000 0.304775000000 0.151113000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
28.905700000000 15.573600000000 10.650900000000 6.542850000000 4.297390000000 2.282810000000 0.938732000000 0.455989000000
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
20.305700000000 12.333500000000 7.779920000000 5.697310000000 3.414730000000 1.718450000000 0.787270000000
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
19.536800000000 16.012500000000 12.813400000000 6.987510000000 3.179670000000 9.455740000000 6.180290000000 1.457460000000 3.327230000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
Cu:def2-SV(P)-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
9 7 5 3 2
11 9 7 6 4
76.618887000000 35.844205000000 17.435980000000 8.790108000000 4.575692000000 2.449357000000 1.342247000000 0.749382000000 0.424079000000 0.241964000000 0.138436000000
0.221270090000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.107710890000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-1.235967560000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
214.965070000000 49.560551000000 21.134817000000 5.354381200000 2.197932500000 1.366181900000 0.600377880000 0.332775310000 0.146738560000
-0.385829260000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.559578400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.179135400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.899828600000 0.000000000000 0.000000000000 0.000000000000 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
106.442650000000 23.194836000000 8.841183800000 4.571022700000 1.822179900000 0.850462610000 0.387499580000
2.098418820000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
10.000249000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.947479080000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.265908060000 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
52.133642000000 13.246909000000 6.284814800000 3.050580800000 1.470033500000 0.506644560000
-1.272321420000 0.000000000000 0.000000000000
1.158165350000 0.000000000000 0.000000000000
2.201112750000 0.000000000000 0.000000000000
0.708861580000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
17.805104000000 6.023657900000 2.062614900000 0.702209360000
1.253173480000 0.000000000000
1.319758060000 0.000000000000
-0.163980420000 0.000000000000
0.000000000000 1.000000000000
Cu:def2-SVP-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
9 9 6 4 3 2
9 9 6 4 3 2
36.684500000000 18.022400000000 8.683390000000 3.850720000000 1.920930000000 0.968853000000 0.486998000000 0.229000000000 0.080576300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
70.982200000000 31.131400000000 15.565700000000 4.659860000000 2.211680000000 0.915491000000 0.443714000000 0.244509000000 0.129265000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
36.366500000000 14.447600000000 7.046620000000 2.691690000000 1.085550000000 0.474946000000
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
7.335240000000 3.469260000000 1.404930000000 0.575394000000
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
13.437200000000 4.330640000000 0.942651000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
7.547690000000 3.457340000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:def2-TZVP-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
9 8 8 6 5 2
11 9 8 6 5 2
76.618887000000 35.844205000000 17.435980000000 8.790108000000 4.575692000000 2.449357000000 1.342247000000 0.749382000000 0.424079000000 0.241964000000 0.138436000000
0.221270090000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.107710890000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-1.235967560000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
214.965070000000 49.560551000000 21.134817000000 5.354381200000 2.197932500000 1.366181900000 0.600377880000 0.332775310000 0.146738560000
-0.385829260000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.559578400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.179135400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.899828600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
101.200000000000 27.978800000000 8.698360000000 3.997890000000 2.531760000000 1.271160000000 0.474687000000 0.195979000000
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
60.998500000000 9.372650000000 4.525810000000 2.490670000000 1.402110000000 0.480416000000
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
23.445300000000 7.458900000000 3.451430000000 1.433680000000 0.621348000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.851860000000 3.526380000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:def2-TZVPP-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
9 9 8 7 5 3 1
9 9 8 7 5 3 1
36.032000000000 16.074200000000 6.476950000000 2.708660000000 1.478650000000 0.815681000000 0.433104000000 0.241467000000 0.135120000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
43.370200000000 17.470300000000 5.354380000000 2.902280000000 1.366180000000 0.600378000000 0.332775000000 0.176555000000 0.100937000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
99.906000000000 18.279700000000 8.841180000000 4.571020000000 1.822180000000 0.850463000000 0.442339000000 0.142023000000
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
52.676200000000 12.223100000000 6.617100000000 3.462410000000 1.629440000000 0.738619000000 0.304780000000
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
20.348400000000 7.160660000000 3.544890000000 1.710550000000 0.762930000000
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
11.519100000000 5.533110000000 2.165690000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
5.557150000000
1.000000000000
Cu:def2-QZVPP-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
15 13 11 9 7 5 2
15 13 11 9 7 5 2
4392.260000000000 939.994000000000 383.727000000000 119.311000000000 59.458900000000 33.787200000000 17.972100000000 11.423300000000 6.700420000000 3.340650000000 1.115790000000 0.563722000000 0.320206000000 0.137640000000 0.068311500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
870.167000000000 202.352000000000 87.417600000000 39.976800000000 21.672200000000 12.545800000000 7.184000000000 3.361330000000 2.023630000000 0.830284000000 0.418378000000 0.211011000000 0.106424000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
145.078000000000 51.316900000000 29.948100000000 13.835000000000 7.518110000000 3.198530000000 1.813320000000 0.783963000000 0.430357000000 0.220642000000 0.115572000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
59.023800000000 17.136100000000 9.317370000000 5.525500000000 2.929640000000 1.687800000000 0.861135000000 0.498758000000 0.296894000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
30.026700000000 12.046400000000 8.566240000000 3.978570000000 2.011410000000 0.856364000000 0.391840000000
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
15.355900000000 8.465950000000 3.736010000000 1.471960000000 0.543297000000
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
9.812600000000 3.033260000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:def2-SVPD-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
10 10 7 4 3 2
10 10 7 4 3 2
36.684500000000 18.022400000000 8.683390000000 3.850720000000 1.920930000000 0.968853000000 0.486998000000 0.229000000000 0.080576300000 0.040997900000
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
70.982200000000 31.131400000000 15.565700000000 4.659860000000 2.211680000000 0.915491000000 0.443714000000 0.244509000000 0.129265000000 0.074779200000
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
36.366500000000 14.447600000000 7.046620000000 2.691690000000 1.085550000000 0.474946000000 0.143497000000
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
7.335240000000 3.469260000000 1.404930000000 0.575394000000
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
13.437200000000 4.330640000000 0.942651000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
7.547690000000 3.457340000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:def2-TZVPD-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
10 9 9 6 5 2
12 10 9 6 5 2
76.618887000000 35.844205000000 17.435980000000 8.790108000000 4.575692000000 2.449357000000 1.342247000000 0.749382000000 0.424079000000 0.241964000000 0.138436000000 0.040997900000
0.221270090000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.107710890000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-1.235967560000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
214.965070000000 49.560551000000 21.134817000000 5.354381200000 2.197932500000 1.366181900000 0.600377880000 0.332775310000 0.146738560000 0.021805300000
-0.385829260000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.559578400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.179135400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.899828600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
101.200000000000 27.978800000000 8.698360000000 3.997890000000 2.531760000000 1.271160000000 0.474687000000 0.195979000000 0.089071300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
60.998500000000 9.372650000000 4.525810000000 2.490670000000 1.402110000000 0.480416000000
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
23.445300000000 7.458900000000 3.451430000000 1.433680000000 0.621348000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.851860000000 3.526380000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:def2-TZVPPD-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
10 10 9 7 5 3 1
10 10 9 7 5 3 1
36.032000000000 16.074200000000 6.476950000000 2.708660000000 1.478650000000 0.815681000000 0.433104000000 0.241467000000 0.135120000000 0.040997900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
43.370200000000 17.470300000000 5.354380000000 2.902280000000 1.366180000000 0.600378000000 0.332775000000 0.176555000000 0.100937000000 0.021805300000
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
99.906000000000 18.279700000000 8.841180000000 4.571020000000 1.822180000000 0.850463000000 0.442339000000 0.142023000000 0.089071300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
52.676200000000 12.223100000000 6.617100000000 3.462410000000 1.629440000000 0.738619000000 0.304780000000
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
20.348400000000 7.160660000000 3.544890000000 1.710550000000 0.762930000000
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
11.519100000000 5.533110000000 2.165690000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
5.557150000000
1.000000000000
Cu:def2-QZVPPD-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
15 13 11 9 7 5 2
15 13 11 9 7 5 2
4392.260000000000 939.994000000000 383.727000000000 119.311000000000 59.458900000000 33.787200000000 17.972100000000 11.423300000000 6.700420000000 3.340650000000 1.115790000000 0.563722000000 0.320206000000 0.137640000000 0.068311500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
870.167000000000 202.352000000000 87.417600000000 39.976800000000 21.672200000000 12.545800000000 7.184000000000 3.361330000000 2.023630000000 0.830284000000 0.418378000000 0.211011000000 0.106424000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
145.078000000000 51.316900000000 29.948100000000 13.835000000000 7.518110000000 3.198530000000 1.813320000000 0.783963000000 0.430357000000 0.220642000000 0.115572000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
59.023800000000 17.136100000000 9.317370000000 5.525500000000 2.929640000000 1.687800000000 0.861135000000 0.498758000000 0.296894000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
30.026700000000 12.046400000000 8.566240000000 3.978570000000 2.011410000000 0.856364000000 0.391840000000
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
15.355900000000 8.465950000000 3.736010000000 1.471960000000 0.543297000000
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
9.812600000000 3.033260000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cu:def2-QZVPP-RI-JK
Weigend's Coulomb/exchange fitting basis set
7
0 1 2 3 4 5 6
16 13 11 9 5 3 1
19 14 12 10 7 3 1
13154.773788000000 5234.946905000000 2171.243905400000 937.753429900000 421.297202500000 196.633773000000 95.203923000000 47.735237700000 24.738302000000 13.222158000000 7.270875000000 4.102696100000 2.368625600000 1.394824600000 0.835035100000 0.506457600000 0.310073800000 0.190921900000 0.117780200000
0.124836021800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.174669521700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.520850318900 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.826209096500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1699.950835800000 688.604572700000 288.033296600000 124.178262000000 55.065566300000 25.058705500000 11.673631800000 5.552175000000 2.688392900000 1.321255300000 0.657016000000 0.329489500000 0.166084100000 0.083860500000
0.398330098200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.917242134300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
472.335512300000 155.385951200000 64.925930900000 29.881915100000 14.804201500000 6.443990400000 3.057070600000 1.482552400000 0.731633600000 0.365656200000 0.184154900000 0.092984300000
0.283381895900 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.959007143400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
139.111866300000 49.807887700000 21.434763900000 9.425255300000 4.334632800000 1.943970000000 0.871983500000 0.452516500000 0.222252600000 0.111790000000
0.296811496000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.954936089900 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
58.046159500000 24.533711400000 10.736122100000 4.831094600000 2.218748500000 1.031757100000 0.481797100000
0.106975819000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.419158923000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.696847730900 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.430184257800 2.652445309800 0.946876400000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.439387050600
1.000000000000
Cu:def2-QZVPP-RI-J
Weigend's Coulomb fitting basis set
5
0 1 2 3 4
8 5 4 3 3
19 5 5 3 3
22760.157532000001 7272.880287400000 2725.081713400000 1480.333742200000 870.784529800000 533.024596400000 313.543871500000 112.897916700000 66.410537400000 39.065020900000 22.979423400000 13.517307500000 4.319379600000 2.540811400000 1.555281400000 0.914871400000 0.329418300000 0.113985500000 0.067050300000
2.075735500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
5.074885800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
12.189353500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
10.734033200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
16.977903300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
14.540485400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
8.653729200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-4.181076100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
8.150784100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
16.872446900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
9.725059600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-5.735938400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 4.887903700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 3.650930600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.978087200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.662243300000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.169609400000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.020492900000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.001805600000
10.432723600000 4.025108600000 1.553438200000 0.599642300000 0.231482300000
0.012518300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.062625100000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.055310800000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.004961800000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.026596800000
19.614008000000 7.297586000000 2.750094600000 1.044440800000 0.397693400000
-0.021136600000 0.000000000000 0.000000000000 0.000000000000
0.026300900000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.003145600000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.014690600000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000840000000
5.816904200000 0.715654200000 0.089201900000
-0.004305100000 0.000000000000 0.000000000000
0.000000000000 0.003152400000 0.000000000000
0.000000000000 0.000000000000 -0.000122900000
15.379472200000 4.263114800000 1.192649200000
0.006510400000 0.000000000000 0.000000000000
0.000000000000 0.004791400000 0.000000000000
0.000000000000 0.000000000000 -0.000666000000
Cu:LANL2DZ-ECP-10
LANL2DZ ECP
*
NCORE = 10 LMAX =2
d-ul
-10.000000000000 1 511.995176300000
-72.554828200000 2 93.280107400000
-12.745023100000 2 23.220666900000
s-ul
3.000000000000 0 173.118085400000
23.835182500000 1 185.241988600000
473.893048800000 2 73.151784700000
157.634582300000 2 14.688415700000
p-ul
5.000000000000 0 100.719136900000
6.499093600000 1 130.834566500000
351.460539500000 2 53.868372000000
85.501603600000 2 14.098946900000
*
Cu:MCDHF-ECP-10
Stuttgart-Koeln MCDFH ECP
*
NCORE = 10 LMAX =4
g-ul
0.000000000000 2 1.000000000000
s-ul
355.750512000000 2 30.110543000000
70.930906000000 2 13.076310000000
p-ul
77.969931000000 2 32.692614000000
155.927448000000 2 32.770339000000
18.021132000000 2 13.751067000000
36.094372000000 2 13.322166000000
d-ul
-12.343410000000 2 38.996511000000
-18.273362000000 2 39.539788000000
-0.984705000000 2 12.287511000000
-1.318747000000 2 11.459300000000
f-ul
-0.227264000000 2 6.190102000000
-0.468773000000 2 8.118780000000
*
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