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

2605 lines
358 KiB
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Co:cc-pVDZ
Dunning's correlation consistent basis set
4
0 1 2 3
6 5 3 1
20 16 8 2
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Co:cc-pVTZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
7 6 4 2 1
20 16 8 2 1
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2.470900000000
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Co: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
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Co: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
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97512.600000000006 23815.099999999999 7540.430000000000 2854.080000000000 1217.690000000000 562.515000000000 274.274000000000 139.114000000000 72.859800000000 39.244800000000 21.643000000000 12.114900000000 6.769120000000 3.705280000000 1.979010000000 1.031270000000 0.513609000000 0.204264000000 0.083878000000 0.034142000000
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495.248000000000 149.038000000000 57.872800000000 25.379600000000 11.859400000000 5.796300000000 2.872750000000 1.407836000000 0.672407000000 0.308835000000 0.134297000000 0.053619000000
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0.009860000000 -0.011506000000 0.015380000000 -0.021895000000 -0.032519000000 0.000000000000
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0.094882000000 -0.114850000000 0.162018000000 -0.256891000000 -0.465019000000 0.000000000000
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8.592000000000 3.018700000000 1.060600000000 0.372600000000
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
6.772300000000 2.319000000000 0.794100000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.951100000000 1.551300000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
3.695000000000
1.000000000000
Co:aug-cc-pVDZ
Dunning's correlation consistent basis set
4
0 1 2 3
7 6 4 2
21 17 9 3
4675675.000000000000 700161.500000000000 159337.299999999988 45130.459999999999 14722.379999999999 5314.222000000000 2072.018000000000 858.618800000000 373.549700000000 168.922900000000 78.296390000000 35.521230000000 17.041440000000 8.173000000000 3.610318000000 1.697047000000 0.743532000000 0.158344000000 0.075036000000 0.033091000000 0.014590000000
0.000007979000 -0.000004200200 0.000000959270 -0.000000202880 -0.000000386310 0.000000000000 0.000000000000
0.000062041000 -0.000032658000 0.000007461900 -0.000001577600 -0.000003068800 0.000000000000 0.000000000000
0.000326170000 -0.000171760000 0.000039231000 -0.000008298800 -0.000015648000 0.000000000000 0.000000000000
0.001375400000 -0.000724790000 0.000165770000 -0.000035042000 -0.000068836000 0.000000000000 0.000000000000
0.004980000000 -0.002631500000 0.000602430000 -0.000127470000 -0.000237740000 0.000000000000 0.000000000000
0.015964000000 -0.008489300000 0.001955200000 -0.000413270000 -0.000821320000 0.000000000000 0.000000000000
0.045521000000 -0.024606000000 0.005726300000 -0.001212300000 -0.002229600000 0.000000000000 0.000000000000
0.112740000000 -0.063221000000 0.015130000000 -0.003199300000 -0.006467800000 0.000000000000 0.000000000000
0.226830000000 -0.138200000000 0.034840000000 -0.007391000000 -0.013255000000 0.000000000000 0.000000000000
0.320310000000 -0.234070000000 0.065704000000 -0.013936000000 -0.029467000000 0.000000000000 0.000000000000
0.237400000000 -0.241500000000 0.078315000000 -0.016786000000 -0.025991000000 0.000000000000 0.000000000000
0.074777000000 0.030353000000 -0.018770000000 0.004149900000 -0.008499800000 0.000000000000 0.000000000000
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0.096499000000 0.497490000000 -0.456640000000 0.107580000000 0.151220000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
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0.020902000000 0.338500000000 0.089990000000 -0.150060000000 0.000000000000 0.000000000000
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126.264000000000 37.522600000000 13.802100000000 5.609270000000 2.333690000000 0.936415000000 0.348237000000 0.112353000000 0.036250000000
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0.025884000000 -0.030053000000 0.000000000000 0.000000000000
0.100060000000 -0.119620000000 0.000000000000 0.000000000000
0.240550000000 -0.291510000000 0.000000000000 0.000000000000
0.356840000000 -0.318050000000 0.000000000000 0.000000000000
0.359580000000 0.091698000000 0.000000000000 0.000000000000
0.236630000000 0.560820000000 0.000000000000 0.000000000000
0.062129000000 0.358680000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.772400000000 0.917000000000 0.327150000000
0.423970000000 0.000000000000
0.768430000000 0.000000000000
0.000000000000 1.000000000000
Co: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
4675675.000000000000 700161.500000000000 159337.299999999988 45130.459999999999 14722.379999999999 5314.222000000000 2072.018000000000 858.618800000000 373.549700000000 168.922900000000 78.296390000000 35.521230000000 17.041440000000 8.173000000000 3.610318000000 1.697047000000 0.743532000000 0.158344000000 0.075036000000 0.033091000000 0.014590000000
0.000007979000 -0.000004200000 0.000000959000 -0.000000203000 -0.000000386000 -0.000000717000 0.000000000000 0.000000000000
0.000062041000 -0.000032658000 0.000007462000 -0.000001578000 -0.000003069000 -0.000005722000 0.000000000000 0.000000000000
0.000326174000 -0.000171764000 0.000039231000 -0.000008299000 -0.000015648000 -0.000029010000 0.000000000000 0.000000000000
0.001375360000 -0.000724785000 0.000165771000 -0.000035042000 -0.000068836000 -0.000128585000 0.000000000000 0.000000000000
0.004979997000 -0.002631462000 0.000602434000 -0.000127466000 -0.000237737000 -0.000439843000 0.000000000000 0.000000000000
0.015964340000 -0.008489272000 0.001955217000 -0.000413270000 -0.000821317000 -0.001537586000 0.000000000000 0.000000000000
0.045520860000 -0.024606190000 0.005726326000 -0.001212261000 -0.002229630000 -0.004116022000 0.000000000000 0.000000000000
0.112738500000 -0.063220590000 0.015129840000 -0.003199318000 -0.006467841000 -0.012155140000 0.000000000000 0.000000000000
0.226826200000 -0.138195700000 0.034839730000 -0.007390972000 -0.013254630000 -0.024404410000 0.000000000000 0.000000000000
0.320307400000 -0.234068000000 0.065703510000 -0.013936490000 -0.029466860000 -0.056019760000 0.000000000000 0.000000000000
0.237402100000 -0.241500200000 0.078315030000 -0.016785750000 -0.025990660000 -0.046894490000 0.000000000000 0.000000000000
0.074776860000 0.030353120000 -0.018770370000 0.004149856000 -0.008499807000 -0.021688280000 0.000000000000 0.000000000000
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0.096499110000 0.497493900000 -0.456642900000 0.107580700000 0.151218900000 0.350059700000 0.000000000000 0.000000000000
0.016233620000 0.089707460000 0.137816900000 -0.041660220000 0.035545090000 -0.204855100000 0.000000000000 0.000000000000
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0.000051135000 0.000217536000 0.399257900000 -0.238136000000 0.214353000000 2.524091000000 0.000000000000 0.000000000000
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0.000040276000 0.000452580000 -0.007820663000 0.572277400000 -0.714003700000 -1.825267000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
19267.779999999999 4560.986000000000 1481.436000000000 566.867100000000 240.491000000000 109.610500000000 52.594910000000 26.083610000000 13.261430000000 6.799778000000 3.393414000000 1.648766000000 0.776282000000 0.298003000000 0.113618000000 0.041624000000 0.015250000000
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0.000369000000 -0.000131000000 -0.000029000000 0.000045000000 0.000092000000 0.000000000000 0.000000000000
0.002128000000 -0.000758000000 -0.000167000000 0.000255000000 0.000563000000 0.000000000000 0.000000000000
0.009372000000 -0.003363000000 -0.000742000000 0.001144000000 0.002354000000 0.000000000000 0.000000000000
0.033155000000 -0.012054000000 -0.002662000000 0.004061000000 0.008976000000 0.000000000000 0.000000000000
0.094752000000 -0.035424000000 -0.007841000000 0.012095000000 0.024810000000 0.000000000000 0.000000000000
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0.333722000000 -0.136908000000 -0.030580000000 0.047557000000 0.094777000000 0.000000000000 0.000000000000
0.332208000000 -0.139019000000 -0.031312000000 0.047302000000 0.126693000000 0.000000000000 0.000000000000
0.154613000000 0.035468000000 0.011311000000 -0.014418000000 -0.063754000000 0.000000000000 0.000000000000
0.020902000000 0.338498000000 0.089990000000 -0.150062000000 -0.418566000000 0.000000000000 0.000000000000
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0.000026000000 -0.003151000000 -0.571025000000 0.617495000000 -0.874722000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
126.264000000000 37.522600000000 13.802100000000 5.609270000000 2.333690000000 0.936415000000 0.348237000000 0.112353000000 0.036250000000
0.003510000000 -0.004067000000 0.005470000000 0.000000000000 0.000000000000
0.025884000000 -0.030053000000 0.040813000000 0.000000000000 0.000000000000
0.100058000000 -0.119620000000 0.168978000000 0.000000000000 0.000000000000
0.240547000000 -0.291513000000 0.409359000000 0.000000000000 0.000000000000
0.356843000000 -0.318048000000 0.086316000000 0.000000000000 0.000000000000
0.359579000000 0.091698000000 -0.769008000000 0.000000000000 0.000000000000
0.236629000000 0.560823000000 0.003355000000 0.000000000000 0.000000000000
0.062129000000 0.358678000000 0.718423000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.813700000000 0.930900000000 0.327150000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.470900000000 0.958140000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Co: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
14370220.000000000000 2151540.000000000000 489625.700000000012 138690.299999999988 45249.889999999999 16337.620000000001 6373.073000000000 2643.958000000000 1153.614000000000 524.860600000000 247.306900000000 119.906300000000 58.964290000000 27.136160000000 13.689120000000 6.882771000000 3.144647000000 1.506266000000 0.687268000000 0.160972000000 0.073017000000 0.032071000000 0.014090000000
0.000001962000 -0.000001032000 0.000000236000 -0.000000050000 -0.000000096000 -0.000000173000 -0.000000197000 0.000000000000 0.000000000000
0.000015253000 -0.000008028000 0.000001835000 -0.000000388000 -0.000000765000 -0.000001376000 -0.000001440000 0.000000000000 0.000000000000
0.000080247000 -0.000042219000 0.000009643000 -0.000002038000 -0.000003904000 -0.000007027000 -0.000008266000 0.000000000000 0.000000000000
0.000338958000 -0.000178482000 0.000040830000 -0.000008630000 -0.000017187000 -0.000030898000 -0.000031090000 0.000000000000 0.000000000000
0.001234551000 -0.000650141000 0.000148563000 -0.000031405000 -0.000059526000 -0.000107193000 -0.000131018000 0.000000000000 0.000000000000
0.004017237000 -0.002121909000 0.000486669000 -0.000102868000 -0.000207048000 -0.000372116000 -0.000357737000 0.000000000000 0.000000000000
0.011899360000 -0.006311755000 0.001449618000 -0.000306478000 -0.000573729000 -0.001033758000 -0.001321726000 0.000000000000 0.000000000000
0.032137210000 -0.017275580000 0.004015116000 -0.000848858000 -0.001731567000 -0.003111602000 -0.002821630000 0.000000000000 0.000000000000
0.077999700000 -0.042993530000 0.010148200000 -0.002146732000 -0.003950029000 -0.007127428000 -0.009692646000 0.000000000000 0.000000000000
0.162682500000 -0.095071250000 0.023423210000 -0.004957499000 -0.010339690000 -0.018593720000 -0.015281430000 0.000000000000 0.000000000000
0.267184900000 -0.175221200000 0.046172200000 -0.009792183000 -0.017360270000 -0.031483020000 -0.048710940000 0.000000000000 0.000000000000
0.288141100000 -0.241612700000 0.072622050000 -0.015450650000 -0.034490740000 -0.062220780000 -0.036114650000 0.000000000000 0.000000000000
0.154830100000 -0.164593300000 0.055124700000 -0.011817940000 -0.014220400000 -0.026843590000 -0.101455900000 0.000000000000 0.000000000000
0.064518960000 0.188006000000 -0.093568030000 0.020315740000 0.018167130000 0.034993600000 0.205918500000 0.000000000000 0.000000000000
0.103072800000 0.550515700000 -0.375206600000 0.084947540000 0.221904400000 0.422009300000 0.174020900000 0.000000000000 0.000000000000
0.071379910000 0.370168200000 -0.359501000000 0.084558700000 0.094969450000 0.257314700000 1.061896000000 0.000000000000 0.000000000000
0.009131332000 0.050072430000 0.282118700000 -0.078244380000 -0.053567700000 -0.536308900000 -3.187512000000 0.000000000000 0.000000000000
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0.000021323000 0.000218281000 -0.003906005000 0.588634200000 -0.642598600000 -1.483086000000 5.018110000000 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
41961.400000000001 9928.306000000000 3224.971000000000 1235.293000000000 525.846900000000 240.976200000000 116.641800000000 58.848340000000 30.529100000000 16.169430000000 8.664236000000 4.591943000000 2.381048000000 1.206246000000 0.588822000000 0.224658000000 0.090436000000 0.035848000000 0.014210000000
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0.002538000000 -0.000906000000 0.000199000000 0.000308000000 0.000620000000 -0.000887000000 0.000000000000 0.000000000000
0.009554000000 -0.003428000000 0.000760000000 0.001187000000 0.002592000000 -0.003204000000 0.000000000000 0.000000000000
0.030335000000 -0.011039000000 0.002425000000 0.003760000000 0.007571000000 -0.010849000000 0.000000000000 0.000000000000
0.080984000000 -0.030157000000 0.006706000000 0.010478000000 0.023001000000 -0.028331000000 0.000000000000 0.000000000000
0.174692000000 -0.067549000000 0.014890000000 0.023058000000 0.045943000000 -0.067369000000 0.000000000000 0.000000000000
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5.983200000000 1.804500000000 0.544200000000 0.184160000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
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4.451400000000 1.270000000000 0.496310000000
1.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 1.000000000000
2.795900000000 1.157910000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Co: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
161030000.000000000000 28755800.000000000000 6423240.000000000000 1721200.000000000000 533994.000000000000 186194.000000000000 71201.699999999997 29276.200000000001 12742.299999999999 5800.510000000000 2736.960000000000 1329.990000000000 662.611000000000 337.415000000000 175.234000000000 92.643400000000 49.757600000000 27.072800000000 14.861000000000 8.181210000000 4.479410000000 2.411910000000 1.258440000000 0.631234000000 0.215297000000 0.118510000000 0.057209000000 0.027166000000 0.012900000000
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0.000003339000 -0.000001756000 0.000000401000 -0.000000085000 -0.000000166000 -0.000000294000 0.000000354000 -0.000000414000 0.000000000000 0.000000000000
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495.248000000000 149.038000000000 57.872800000000 25.379600000000 11.859400000000 5.796300000000 2.872750000000 1.407836000000 0.672407000000 0.308835000000 0.134297000000 0.053619000000 0.021410000000
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0.035417000000 -0.041673000000 0.056932000000 -0.083031000000 -0.101078000000 0.000000000000 0.000000000000
0.094882000000 -0.114850000000 0.162018000000 -0.256891000000 -0.465019000000 0.000000000000 0.000000000000
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0.060567000000 0.314681000000 0.587606000000 0.625456000000 -0.474200000000 0.000000000000 0.000000000000
0.006043000000 0.056026000000 0.146279000000 0.213835000000 -0.358616000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.592000000000 3.018700000000 1.060600000000 0.372600000000 0.126550000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.772300000000 2.319000000000 0.794100000000 0.297480000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.951100000000 1.551300000000 0.638780000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.695000000000
1.000000000000
Co: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
4675675.000000000000 700161.500000000000 159337.299999999988 45130.459999999999 14722.379999999999 5314.222000000000 2072.018000000000 858.618800000000 373.549700000000 168.922900000000 78.296390000000 35.521230000000 17.041440000000 8.173000000000 3.610318000000 1.697047000000 0.743532000000 0.158344000000 0.075036000000 0.033091000000 5.143100000000 1.358000000000 0.014590000000
0.000007979026 -0.000004200240 0.000000959269 -0.000000202884 -0.000000386305 -0.000000717469 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000062040710 -0.000032658310 0.000007461851 -0.000001577580 -0.000003068788 -0.000005722157 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000326173500 -0.000171764400 0.000039231370 -0.000008298813 -0.000015648260 -0.000029009700 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001375360000 -0.000724785300 0.000165770600 -0.000035041540 -0.000068835880 -0.000128584500 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004979997000 -0.002631462000 0.000602433500 -0.000127465500 -0.000237736700 -0.000439843400 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.015964340000 -0.008489272000 0.001955217000 -0.000413269500 -0.000821317300 -0.001537586000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.045520860000 -0.024606190000 0.005726326000 -0.001212261000 -0.002229630000 -0.004116022000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.112738500000 -0.063220590000 0.015129840000 -0.003199318000 -0.006467841000 -0.012155140000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.226826200000 -0.138195700000 0.034839730000 -0.007390972000 -0.013254630000 -0.024404410000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.320307400000 -0.234068000000 0.065703510000 -0.013936490000 -0.029466860000 -0.056019760000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.237402100000 -0.241500200000 0.078315030000 -0.016785750000 -0.025990660000 -0.046894490000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.074776860000 0.030353120000 -0.018770370000 0.004149856000 -0.008499807000 -0.021688280000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.095818720000 0.510134100000 -0.306266300000 0.067976460000 0.172731600000 0.347778900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.096499110000 0.497493900000 -0.456642900000 0.107580700000 0.151218900000 0.350059700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.016233620000 0.089707460000 0.137816900000 -0.041660220000 0.035545090000 -0.204855100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000040275770 0.000452580400 -0.007820663000 0.572277400000 -0.714003700000 -1.825267000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
19267.779999999999 4560.986000000000 1481.436000000000 566.867100000000 240.491000000000 109.610500000000 52.594910000000 26.083610000000 13.261430000000 6.799778000000 3.393414000000 1.648766000000 0.776282000000 0.298003000000 0.113618000000 0.041624000000 7.690900000000 1.761700000000 0.015250000000
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0.000026000000 -0.003151000000 -0.571025000000 0.617495000000 -0.874722000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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126.264000000000 37.522600000000 13.802100000000 5.609270000000 2.333690000000 0.936415000000 0.348237000000 0.112353000000 5.127800000000 2.409400000000 0.036250000000
0.003510000000 -0.004067000000 0.005470000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.025884000000 -0.030053000000 0.040813000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.100058000000 -0.119620000000 0.168978000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.240547000000 -0.291513000000 0.409359000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.356843000000 -0.318048000000 0.086316000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.359579000000 0.091698000000 -0.769008000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.236629000000 0.560823000000 0.003355000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.062129000000 0.358678000000 0.718423000000 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
0.930900000000 6.961000000000 2.648900000000 0.327150000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.470900000000 6.372100000000 0.958140000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Co: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
14370220.000000000000 2151540.000000000000 489625.700000000012 138690.299999999988 45249.889999999999 16337.620000000001 6373.073000000000 2643.958000000000 1153.614000000000 524.860600000000 247.306900000000 119.906300000000 58.964290000000 27.136160000000 13.689120000000 6.882771000000 6.072100000000 3.144647000000 1.684200000000 1.506266000000 0.687268000000 0.160972000000 0.073017000000 0.032071000000 0.014090000000
0.000001961579 -0.000001032046 0.000000000000 0.000000000000 0.000000235777 -0.000000049839 -0.000000173362 -0.000000096338 0.000000000000 -0.000000196811 0.000000000000
0.000015253080 -0.000008027614 0.000000000000 0.000000000000 0.000001835300 -0.000000387930 -0.000001376434 -0.000000765408 0.000000000000 -0.000001439789 0.000000000000
0.000080246710 -0.000042219300 0.000000000000 0.000000000000 0.000009642951 -0.000002038379 -0.000007026909 -0.000003903640 0.000000000000 -0.000008265947 0.000000000000
0.000338958200 -0.000178481700 0.000000000000 0.000000000000 0.000040829780 -0.000008630129 -0.000030897570 -0.000017186650 0.000000000000 -0.000031089890 0.000000000000
0.001234551000 -0.000650141100 0.000000000000 0.000000000000 0.000148563000 -0.000031405190 -0.000107192900 -0.000059526400 0.000000000000 -0.000131018400 0.000000000000
0.004017237000 -0.002121909000 0.000000000000 0.000000000000 0.000486668800 -0.000102868200 -0.000372116100 -0.000207048200 0.000000000000 -0.000357736600 0.000000000000
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0.064518960000 0.188006000000 0.000000000000 0.000000000000 -0.093568030000 0.020315740000 0.034993600000 0.018167130000 0.000000000000 0.205918500000 0.000000000000
0.103072800000 0.550515700000 0.000000000000 0.000000000000 -0.375206600000 0.084947540000 0.422009300000 0.221904400000 0.000000000000 0.174020900000 0.000000000000
0.071379910000 0.370168200000 0.000000000000 0.000000000000 -0.359501000000 0.084558700000 0.257314700000 0.094969450000 0.000000000000 1.061896000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009131332000 0.050072430000 0.000000000000 0.000000000000 0.282118700000 -0.078244380000 -0.536308900000 -0.053567700000 0.000000000000 -3.187512000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000291967900 -0.003975686000 0.000000000000 0.000000000000 0.688285100000 -0.216140300000 -1.856112000000 -0.907104500000 0.000000000000 2.052730000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
41961.400000000001 9928.306000000000 3224.971000000000 1235.293000000000 525.846900000000 240.976200000000 116.641800000000 58.848340000000 30.529100000000 16.169430000000 9.365500000000 8.664236000000 4.591943000000 2.568800000000 2.381048000000 1.206246000000 0.588822000000 0.224658000000 0.090436000000 0.035848000000 0.014210000000
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0.000095000000 0.000000000000 0.000000000000 -0.000034000000 0.000011000000 0.000023000000 -0.000033000000 0.000007000000 0.000000000000 0.000000000000
0.000557000000 0.000000000000 0.000000000000 -0.000198000000 0.000069000000 0.000150000000 -0.000185000000 0.000044000000 0.000000000000 0.000000000000
0.002538000000 0.000000000000 0.000000000000 -0.000906000000 0.000308000000 0.000620000000 -0.000887000000 0.000199000000 0.000000000000 0.000000000000
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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 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001895000000 0.000000000000 0.000000000000 0.404148000000 -0.171061000000 -0.437813000000 0.808264000000 -0.106112000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000551000000 0.023410000000 -0.031187000000 -0.080330000000 0.261778000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
375.320000000000 112.604000000000 43.519000000000 18.814700000000 8.664910000000 6.259400000000 4.137110000000 3.324100000000 1.970800000000 0.915007000000 0.407370000000 0.170444000000 0.064379000000 0.024320000000
0.000000000000 0.000000000000 0.000356000000 -0.000411000000 -0.000827000000 -0.000545000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.003239000000 -0.003774000000 -0.007041000000 -0.005028000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.016569000000 -0.019316000000 -0.039268000000 -0.025945000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.055983000000 -0.066437000000 -0.133341000000 -0.091104000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.139403000000 -0.170542000000 -0.434230000000 -0.245395000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.244378000000 -0.285477000000 -0.256554000000 -0.348160000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.308107000000 -0.232884000000 0.966240000000 0.070083000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.297266000000 0.094471000000 0.109798000000 0.649445000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.213685000000 0.420178000000 -1.047035000000 0.193942000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.093414000000 0.409474000000 0.437599000000 -0.618468000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.012483000000 0.104051000000 0.385204000000 -0.261028000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.032100000000 3.811100000000 1.608100000000 0.544200000000 0.184160000000
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
7.356000000000 3.249800000000 1.270000000000 0.496310000000
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
6.751000000000 2.795900000000 1.157910000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Co: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
161030000.000000000000 28755800.000000000000 6423240.000000000000 1721200.000000000000 533994.000000000000 186194.000000000000 71201.699999999997 29276.200000000001 12742.299999999999 5800.510000000000 2736.960000000000 1329.990000000000 662.611000000000 337.415000000000 175.234000000000 92.643400000000 49.757600000000 27.072800000000 14.861000000000 8.181210000000 7.351900000000 4.479410000000 2.622800000000 2.411910000000 1.258440000000 0.631234000000 0.215297000000 0.118510000000 0.057209000000 0.027166000000 0.012900000000
0.000000086622 -0.000000045562 0.000000000000 0.000000000000 0.000000010416 -0.000000002201 -0.000000007600 -0.000000004306 -0.000000010705 0.000000009197 0.000000000000 0.000000000000
0.000000577176 -0.000000303585 0.000000000000 0.000000000000 0.000000069415 -0.000000014668 -0.000000050061 -0.000000028484 -0.000000070387 0.000000061870 0.000000000000 0.000000000000
0.000003338777 -0.000001756166 0.000000000000 0.000000000000 0.000000401447 -0.000000084823 -0.000000293890 -0.000000166298 -0.000000414192 0.000000353533 0.000000000000 0.000000000000
0.000015256390 -0.000008024821 0.000000000000 0.000000000000 0.000001835009 -0.000000387778 -0.000001319357 -0.000000751546 -0.000001854049 0.000001639554 0.000000000000 0.000000000000
0.000058964290 -0.000031017680 0.000000000000 0.000000000000 0.000007090429 -0.000001498105 -0.000005211710 -0.000002944684 -0.000007350041 0.000006223594 0.000000000000 0.000000000000
0.000199270200 -0.000104842800 0.000000000000 0.000000000000 0.000023980840 -0.000005067913 -0.000017152610 -0.000009789564 -0.000024084110 0.000021514910 0.000000000000 0.000000000000
0.000607778900 -0.000319931400 0.000000000000 0.000000000000 0.000073162860 -0.000015457630 -0.000054109680 -0.000030503780 -0.000076387310 0.000063897190 0.000000000000 0.000000000000
0.001710961000 -0.000901610500 0.000000000000 0.000000000000 0.000206494400 -0.000043642200 -0.000146645500 -0.000083919090 -0.000205694500 0.000186321000 0.000000000000 0.000000000000
0.004517474000 -0.002386390000 0.000000000000 0.000000000000 0.000547093000 -0.000115586700 -0.000407724000 -0.000229207700 -0.000576372100 0.000474969400 0.000000000000 0.000000000000
0.011277820000 -0.005988100000 0.000000000000 0.000000000000 0.001379359000 -0.000291573300 -0.000971913800 -0.000557822400 -0.001362515000 0.001252974000 0.000000000000 0.000000000000
0.026612270000 -0.014280630000 0.000000000000 0.000000000000 0.003311503000 -0.000699738800 -0.002489639000 -0.001395052000 -0.003527424000 0.002859209000 0.000000000000 0.000000000000
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97512.600000000006 23815.099999999999 7540.430000000000 2854.080000000000 1217.690000000000 562.515000000000 274.274000000000 139.114000000000 72.859800000000 39.244800000000 21.643000000000 12.114900000000 11.198100000000 6.769120000000 3.705280000000 3.619500000000 1.979010000000 1.031270000000 0.513609000000 0.204264000000 0.083878000000 0.034142000000 0.013900000000
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495.248000000000 149.038000000000 57.872800000000 25.379600000000 11.859400000000 8.023200000000 5.796300000000 4.918200000000 2.872750000000 1.407836000000 0.672407000000 0.308835000000 0.134297000000 0.053619000000 0.021410000000
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1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.188651000000 -0.230036000000 -0.503751000000 0.325124000000 -0.318601000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.270395000000 -0.278722000000 0.349761000000 0.207144000000 1.514991000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.296347000000 -0.109044000000 0.934870000000 -0.368740000000 -0.761267000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.256559000000 0.230918000000 -0.638394000000 -0.580849000000 -0.967168000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.164055000000 0.434178000000 -0.637256000000 0.126706000000 1.443330000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.060567000000 0.314681000000 0.625456000000 0.587606000000 -0.474200000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.006043000000 0.056026000000 0.213835000000 0.146279000000 -0.358616000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.575100000000 5.577200000000 2.473500000000 1.097000000000 0.372600000000 0.126550000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.763400000000 4.310100000000 2.119800000000 0.794100000000 0.297480000000
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
7.882600000000 3.767400000000 1.551300000000 0.638780000000
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
8.007000000000 3.695000000000 1.705140000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Co:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 3 2
14 9 5
65902.208257000006 9895.389602699999 2251.430578900000 635.610970840000 206.788206810000 71.179242971000 137.772680400000 16.118079243000 6.603032771000 11.479915788000 1.895642632400 0.784662320670 0.098425774432 0.035945741932
0.001428461494 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010946072783 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054285953890 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.188851790790 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.383016349940 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.294435512660 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.109902217360 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.644555373950 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.451167879240 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.225938469100 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.722314090080 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.449038122960 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
843.643585750000 198.763869940000 62.854963098000 22.562842280000 8.371320912700 4.285871980000 1.650804181700 0.618342310960 0.141308000000
0.009386609725 0.000000000000 0.000000000000
0.069880208716 0.000000000000 0.000000000000
0.270370703450 0.000000000000 0.000000000000
0.529047868800 0.000000000000 0.000000000000
0.343570295790 0.000000000000 0.000000000000
0.000000000000 0.340279990360 0.000000000000
0.000000000000 0.566933923840 0.000000000000
0.000000000000 0.236179797830 0.000000000000
0.000000000000 0.000000000000 1.000000000000
42.927867612000 11.942533053000 4.004649566400 1.341319380400 0.400150097430
0.028487788365 0.000000000000
0.152069512830 0.000000000000
0.373109139990 0.000000000000
0.475498376760 0.000000000000
0.000000000000 0.313468314240
Co:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
5 3 2 1
14 9 5 1
65902.208257000006 9895.389602699999 2251.430578900000 635.610970840000 206.788206810000 71.179242971000 137.772680400000 16.118079243000 6.603032771000 11.479915788000 1.895642632400 0.784662320670 0.098425774432 0.035945741932
0.001428461494 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010946072783 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054285953890 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.188851790790 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.383016349940 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.294435512660 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.109902217360 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.644555373950 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.451167879240 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.225938469100 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.722314090080 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.449038122960 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
843.643585750000 198.763869940000 62.854963098000 22.562842280000 8.371320912700 4.285871980000 1.650804181700 0.618342310960 0.141308000000
0.009386609725 0.000000000000 0.000000000000
0.069880208716 0.000000000000 0.000000000000
0.270370703450 0.000000000000 0.000000000000
0.529047868800 0.000000000000 0.000000000000
0.343570295790 0.000000000000 0.000000000000
0.000000000000 0.340279990360 0.000000000000
0.000000000000 0.566933923840 0.000000000000
0.000000000000 0.236179797830 0.000000000000
0.000000000000 0.000000000000 1.000000000000
42.927867612000 11.942533053000 4.004649566400 1.341319380400 0.400150097430
0.028487788365 0.000000000000
0.152069512830 0.000000000000
0.373109139990 0.000000000000
0.475498376760 0.000000000000
0.000000000000 0.313468314240
1.903000000000
1.000000000000
Co:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 4 4 1
17 11 7 1
325817.015529999975 48839.636452999999 11114.937307000000 3146.160364200000 1024.437846500000 368.025088160000 142.912292050000 56.482649209000 356.402983180000 110.311652150000 17.659634834000 7.505903047900 11.501807176000 1.908199460600 0.793966968910 0.124444488290 0.044444645379
0.000225684625 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001749939753 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009100313410 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036996256837 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.120442696210 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.285987316490 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.409083120040 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.215001457390 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024767059678 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.117021391340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.552155222000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.532468770600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.229424700770 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.711809335140 0.000000000000 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
1731.136914400000 409.917504380000 131.456485780000 48.987439714000 19.537078992000 7.928728163400 31.076017584000 4.283518069700 1.702292156300 0.642029086020 0.141308000000
0.002390576768 0.000000000000 0.000000000000 0.000000000000
0.019382999967 0.000000000000 0.000000000000 0.000000000000
0.090905448509 0.000000000000 0.000000000000 0.000000000000
0.261466815770 0.000000000000 0.000000000000 0.000000000000
0.421572645700 0.000000000000 0.000000000000 0.000000000000
0.245718135570 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.029438069973 0.000000000000 0.000000000000
0.000000000000 0.556155681680 0.000000000000 0.000000000000
0.000000000000 0.967721950640 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
68.140745239000 19.685241019000 6.932212882500 2.602512569400 0.940168373020 0.303814577940 0.098000000000
0.011983845360 0.000000000000 0.000000000000 0.000000000000
0.073688540475 0.000000000000 0.000000000000 0.000000000000
0.230854967790 0.000000000000 0.000000000000 0.000000000000
0.392810592250 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.402034122280 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.214156067430 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.903000000000
1.000000000000
Co:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 5 4 2 1
17 12 7 2 1
325817.015529999975 48839.636452999999 11114.937307000000 3146.160364200000 1024.437846500000 368.025088160000 142.912292050000 56.482649209000 356.402983180000 110.311652150000 17.659634834000 7.505903047900 11.501807176000 1.908199460600 0.793966968910 0.124444488290 0.044444645379
0.000225684625 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001749939753 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009100313410 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036996256837 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.120442696210 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.285987316490 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.409083120040 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.215001457390 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024767059678 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.117021391340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.552155222000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.532468770600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.229424700770 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.711809335140 0.000000000000 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
1731.136914400000 409.917504380000 131.456485780000 48.987439714000 19.537078992000 7.928728163400 31.076017584000 4.283518069700 1.702292156300 0.642029086020 0.242100000000 0.091320000000
0.002390576768 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019382999967 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.090905448509 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.261466815770 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.421572645700 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.245718135570 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.029438069973 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.556155681680 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.967721950640 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
68.140745239000 19.685241019000 6.932212882500 2.602512569400 0.940168373020 0.303814577940 0.098000000000
0.011983845360 0.000000000000 0.000000000000 0.000000000000
0.073688540475 0.000000000000 0.000000000000 0.000000000000
0.230854967790 0.000000000000 0.000000000000 0.000000000000
0.392810592250 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.402034122280 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.214156067430 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.955000000000 0.965000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
2.500000000000
1.000000000000
Co:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 3 1
24 18 10 3 1
4658206.503200000152 697560.874530000030 158759.871240000008 44969.099378999999 14670.714247000000 5295.894725000000 2065.058116700000 855.906277500000 372.487472550000 168.505766080000 78.128761566000 1534.514988500000 475.529760960000 182.548368390000 78.916467177000 35.500865522000 16.790414486000 8.024023251000 3.457168296400 1.659983539100 0.733800224530 0.158786131030 0.074535659476 0.032867351695
0.000008660951 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000067336300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000353990449 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001492638431 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005405309509 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.017335233605 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.049486641301 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.122893519610 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.249032300280 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.358383202590 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.277779741500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.007446437283 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.072993601986 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.332431049860 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.619004900050 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8425.433135200001 1995.875845200000 647.767656810000 246.882612140000 104.009522460000 46.827478138000 21.934444535000 10.540499528000 4.982041938500 69.270787130000 24.583977935000 4.856225887800 2.248091610200 1.011428597700 0.419199054550 0.175000000000 0.073000000000 0.030000000000
0.000174917755 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001537890170 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008575245345 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035295266911 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.110500076720 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.251609245380 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.382090030190 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.309471198790 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.087436873012 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.006117242443 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.029655043898 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.291633331900 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.606294083350 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.490574400180 0.000000000000 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
237.584509660000 71.086896302000 27.119080683000 11.448239054000 5.139180667200 2.332349209900 1.033866206200 0.437851462940 0.168950049480 0.066000000000
0.000975932827 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008343257194 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.037958471100 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.115229361710 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.238434679130 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.332056999550 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.332768360670 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.227692909320 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.074634129160 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.975000000000 1.903000000000 0.594000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.500000000000
1.000000000000
Co:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 4 2
24 18 10 4 2
4658206.503200000152 697560.874530000030 158759.871240000008 44969.099378999999 14670.714247000000 5295.894725000000 2065.058116700000 855.906277500000 372.487472550000 168.505766080000 78.128761566000 1534.514988500000 475.529760960000 182.548368390000 78.916467177000 35.500865522000 16.790414486000 8.024023251000 3.457168296400 1.659983539100 0.733800224530 0.158786131030 0.074535659476 0.032867351695
0.000008660951 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000067336300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000353990449 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001492638431 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005405309509 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.017335233605 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.049486641301 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.122893519610 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.249032300280 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.358383202590 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.277779741500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.007446437283 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.072993601986 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.332431049860 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.619004900050 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8425.433135200001 1995.875845200000 647.767656810000 246.882612140000 104.009522460000 46.827478138000 21.934444535000 10.540499528000 4.982041938500 69.270787130000 24.583977935000 4.856225887800 2.248091610200 1.011428597700 0.419199054550 0.175000000000 0.073000000000 0.030000000000
0.000174917755 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001537890170 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008575245345 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035295266911 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.110500076720 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.251609245380 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.382090030190 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.309471198790 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.087436873012 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.006117242443 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.029655043898 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.291633331900 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.606294083350 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.490574400180 0.000000000000 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
237.584509660000 71.086896302000 27.119080683000 11.448239054000 5.139180667200 2.332349209900 1.033866206200 0.437851462940 0.168950049480 0.066000000000
0.000975932827 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008343257194 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.037958471100 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.115229361710 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.238434679130 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.332056999550 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.332768360670 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.227692909320 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.074634129160 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.975000000000 1.903000000000 0.594000000000 0.185400000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.635000000000 1.349000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Co:def2-SVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
5 4 2 1
14 10 5 1
65902.208257000006 9895.389602699999 2251.430578900000 635.610970840000 206.788206810000 71.179242971000 137.772680400000 16.118079243000 6.603032771000 11.479915788000 1.895642632400 0.784662320670 0.098425774432 0.035945741932
0.001428461494 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010946072783 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054285953890 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.188851790790 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.383016349940 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.294435512660 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.109902217360 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.644555373950 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.451167879240 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.225938469100 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.722314090080 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.449038122960 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
843.643585750000 198.763869940000 62.854963098000 22.562842280000 8.371320912700 4.285871980000 1.650804181700 0.618342310960 0.141308000000 0.037744197011
0.009386609725 0.000000000000 0.000000000000 0.000000000000
0.069880208716 0.000000000000 0.000000000000 0.000000000000
0.270370703450 0.000000000000 0.000000000000 0.000000000000
0.529047868800 0.000000000000 0.000000000000 0.000000000000
0.343570295790 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.340279990360 0.000000000000 0.000000000000
0.000000000000 0.566933923840 0.000000000000 0.000000000000
0.000000000000 0.236179797830 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
42.927867612000 11.942533053000 4.004649566400 1.341319380400 0.400150097430
0.028487788365 0.000000000000
0.152069512830 0.000000000000
0.373109139990 0.000000000000
0.475498376760 0.000000000000
0.000000000000 0.313468314240
1.903000000000
1.000000000000
Co:def2-TZVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 5 4 1
17 12 7 1
325817.015529999975 48839.636452999999 11114.937307000000 3146.160364200000 1024.437846500000 368.025088160000 142.912292050000 56.482649209000 356.402983180000 110.311652150000 17.659634834000 7.505903047900 11.501807176000 1.908199460600 0.793966968910 0.124444488290 0.044444645379
0.000225684625 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001749939753 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009100313410 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036996256837 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.120442696210 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.285987316490 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.409083120040 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.215001457390 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024767059678 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.117021391340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.552155222000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.532468770600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.229424700770 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.711809335140 0.000000000000 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
1731.136914400000 409.917504380000 131.456485780000 48.987439714000 19.537078992000 7.928728163400 31.076017584000 4.283518069700 1.702292156300 0.642029086020 0.141308000000 0.034811056587
0.002390576768 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019382999967 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.090905448509 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.261466815770 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.421572645700 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.245718135570 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.029438069973 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.556155681680 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.967721950640 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
68.140745239000 19.685241019000 6.932212882500 2.602512569400 0.940168373020 0.303814577940 0.098000000000
0.011983845360 0.000000000000 0.000000000000 0.000000000000
0.073688540475 0.000000000000 0.000000000000 0.000000000000
0.230854967790 0.000000000000 0.000000000000 0.000000000000
0.392810592250 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.402034122280 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.214156067430 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.903000000000
1.000000000000
Co:def2-TZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 6 4 2 1
17 13 7 2 1
325817.015529999975 48839.636452999999 11114.937307000000 3146.160364200000 1024.437846500000 368.025088160000 142.912292050000 56.482649209000 356.402983180000 110.311652150000 17.659634834000 7.505903047900 11.501807176000 1.908199460600 0.793966968910 0.124444488290 0.044444645379
0.000225684625 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001749939753 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009100313410 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036996256837 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.120442696210 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.285987316490 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.409083120040 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.215001457390 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024767059678 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.117021391340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.552155222000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.532468770600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.229424700770 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.711809335140 0.000000000000 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
1731.136914400000 409.917504380000 131.456485780000 48.987439714000 19.537078992000 7.928728163400 31.076017584000 4.283518069700 1.702292156300 0.642029086020 0.242100000000 0.091320000000 0.034811056587
0.002390576768 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019382999967 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.090905448509 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.261466815770 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.421572645700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.245718135570 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.029438069973 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.556155681680 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.967721950640 0.000000000000 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
68.140745239000 19.685241019000 6.932212882500 2.602512569400 0.940168373020 0.303814577940 0.098000000000
0.011983845360 0.000000000000 0.000000000000 0.000000000000
0.073688540475 0.000000000000 0.000000000000 0.000000000000
0.230854967790 0.000000000000 0.000000000000 0.000000000000
0.392810592250 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.402034122280 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.214156067430 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.955000000000 0.965000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
2.500000000000
1.000000000000
Co:def2-QZVPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 3 1
24 18 10 3 1
4658206.503200000152 697560.874530000030 158759.871240000008 44969.099378999999 14670.714247000000 5295.894725000000 2065.058116700000 855.906277500000 372.487472550000 168.505766080000 78.128761566000 1534.514988500000 475.529760960000 182.548368390000 78.916467177000 35.500865522000 16.790414486000 8.024023251000 3.457168296400 1.659983539100 0.733800224530 0.158786131030 0.074535659476 0.032867351695
0.000008660951 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000067336300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000353990449 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001492638431 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005405309509 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.017335233605 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.049486641301 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.122893519610 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.249032300280 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.358383202590 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.277779741500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.332431049860 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.619004900050 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8425.433135200001 1995.875845200000 647.767656810000 246.882612140000 104.009522460000 46.827478138000 21.934444535000 10.540499528000 4.982041938500 69.270787130000 24.583977935000 4.856225887800 2.248091610200 1.011428597700 0.419199054550 0.175000000000 0.073000000000 0.030000000000
0.000174917755 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001537890170 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008575245345 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035295266911 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.110500076720 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.251609245380 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.382090030190 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.309471198790 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.087436873012 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.006117242443 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.029655043898 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.291633331900 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.606294083350 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.490574400180 0.000000000000 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
237.584509660000 71.086896302000 27.119080683000 11.448239054000 5.139180667200 2.332349209900 1.033866206200 0.437851462940 0.168950049480 0.066000000000
0.000975932827 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008343257194 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.037958471100 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.115229361710 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.238434679130 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.332056999550 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.975000000000 1.903000000000 0.594000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.500000000000
1.000000000000
Co:def2-QZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 4 2
24 18 10 4 2
4658206.503200000152 697560.874530000030 158759.871240000008 44969.099378999999 14670.714247000000 5295.894725000000 2065.058116700000 855.906277500000 372.487472550000 168.505766080000 78.128761566000 1534.514988500000 475.529760960000 182.548368390000 78.916467177000 35.500865522000 16.790414486000 8.024023251000 3.457168296400 1.659983539100 0.733800224530 0.158786131030 0.074535659476 0.032867351695
0.000008660951 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000067336300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000353990449 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001492638431 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005405309509 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.017335233605 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.049486641301 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.122893519610 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.249032300280 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.358383202590 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.277779741500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.007446437283 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.072993601986 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.332431049860 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.619004900050 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8425.433135200001 1995.875845200000 647.767656810000 246.882612140000 104.009522460000 46.827478138000 21.934444535000 10.540499528000 4.982041938500 69.270787130000 24.583977935000 4.856225887800 2.248091610200 1.011428597700 0.419199054550 0.175000000000 0.073000000000 0.030000000000
0.000174917755 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001537890170 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008575245345 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035295266911 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.110500076720 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.251609245380 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.382090030190 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.309471198790 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.087436873012 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.006117242443 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.029655043898 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.291633331900 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.606294083350 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.490574400180 0.000000000000 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
237.584509660000 71.086896302000 27.119080683000 11.448239054000 5.139180667200 2.332349209900 1.033866206200 0.437851462940 0.168950049480 0.066000000000
0.000975932827 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008343257194 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.037958471100 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.115229361710 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.238434679130 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.332056999550 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.332768360670 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.227692909320 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.074634129160 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.975000000000 1.903000000000 0.594000000000 0.185400000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.635000000000 1.349000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Co:LANL2DZ
Hay and Wadt's LANL2DZ Gaussian basis set
3
0 1 2
3 3 2
5 5 5
7.176000000000 2.009000000000 0.805500000000 0.107000000000 0.037500000000
-0.385673400000 0.173616100000 0.000000000000
0.745311600000 -0.397044200000 0.000000000000
0.509181900000 -0.463062200000 0.000000000000
0.000000000000 1.089965400000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
21.390000000000 2.650000000000 0.861900000000 0.080000000000 0.023000000000
-0.048041300000 0.000000000000 0.000000000000
0.622233700000 0.000000000000 0.000000000000
0.475804200000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
39.250000000000 10.780000000000 3.496000000000 1.066000000000 0.260600000000
0.036154100000 0.000000000000
0.189674400000 0.000000000000
0.452498100000 0.000000000000
0.571042700000 0.000000000000
0.000000000000 1.000000000000
Co: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
1221.200000000000 413.583000000000 103.025000000000 44.024600000000 22.409900000000 11.192200000000 7.151390000000 4.727390000000 2.474740000000 1.186980000000 0.751082000000 0.428547000000 0.165533000000 0.084008000000 0.043677000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
505.917000000000 206.327000000000 50.339900000000 21.710700000000 10.145500000000 6.674950000000 3.549910000000 2.590940000000 1.288680000000 0.757767000000 0.403555000000 0.173707000000 0.084032000000 0.047823000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
212.835000000000 67.786800000000 29.472700000000 12.232300000000 7.999530000000 5.144720000000 2.844670000000 1.582440000000 0.795124000000 0.454742000000 0.170684000000 0.081989000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
100.267000000000 37.378800000000 16.367600000000 8.430810000000 5.620140000000 3.455470000000 1.537340000000 0.873974000000 0.423357000000 0.238166000000 0.163611000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
41.970800000000 18.457900000000 9.172690000000 6.091010000000 3.498750000000 1.786120000000 0.737840000000 0.294062000000 0.927181000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
20.174400000000 9.680810000000 5.672970000000 3.625860000000 1.548820000000 0.667561000000
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
12.722800000000 7.652450000000 3.651150000000 1.585100000000
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
Co: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
87.913747500000 39.534164000000 18.518923000000 9.005099500000 4.528071500000 2.344443000000 1.244107500000 0.673315500000 0.369708000000 0.204848500000 0.098974000000
-0.098619270000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.183843010000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.520690940000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
185.624980000000 45.527905000000 17.325520000000 4.453493500000 1.850949500000 1.108823900000 0.515639990000 0.250798170000 0.102123940000
-0.385839750000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.559578350000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.130809340000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.904456400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
91.373641000000 21.288802000000 7.326943000000 3.770280000000 1.673130600000 0.823865750000 0.409554890000
1.511163790000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
10.000249000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.412818170000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.986522790000 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
47.857225000000 13.996708000000 5.681828600000 2.848341300000 1.266693200000 0.538707480000
-1.104701960000 0.000000000000 0.000000000000
0.567454820000 0.000000000000 0.000000000000
2.251895600000 0.000000000000 0.000000000000
0.584155140000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
14.806891000000 4.917705700000 2.071028600000 0.732332350000
1.253475610000 0.000000000000
1.318972340000 0.000000000000
-0.290574150000 0.000000000000
0.000000000000 1.000000000000
Co: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
30.712700000000 14.761700000000 6.807410000000 3.174520000000 1.587850000000 0.793555000000 0.365003000000 0.175000000000 0.076661800000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
64.592800000000 24.651900000000 12.326000000000 3.823440000000 1.882940000000 0.840200000000 0.427000000000 0.227861000000 0.106967000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
29.396000000000 11.572000000000 6.666510000000 2.739630000000 1.138400000000 0.492944000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.088440000000 2.992240000000 1.443800000000 0.639660000000
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
11.322700000000 3.644210000000 0.986361000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
6.539270000000 3.007910000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Co: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
87.913747500000 39.534164000000 18.518923000000 9.005099500000 4.528071500000 2.344443000000 1.244107500000 0.673315500000 0.369708000000 0.204848500000 0.098974000000
-0.098619270000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.183843010000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.520690940000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
185.624980000000 45.527905000000 17.325520000000 4.453493500000 1.850949500000 1.108823900000 0.515639990000 0.250798170000 0.102123940000
-0.385839750000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.559578350000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.130809340000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.904456400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 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
87.649600000000 21.889300000000 7.047820000000 3.311390000000 1.951610000000 0.854992000000 0.421984000000 0.163419000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
50.898900000000 7.842340000000 3.855370000000 2.062660000000 1.182640000000 0.465830000000
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
15.670200000000 5.073610000000 2.525500000000 0.976093000000 0.579275000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.508570000000 3.011990000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Co: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
28.741200000000 11.960300000000 5.096280000000 2.344440000000 1.244110000000 0.673315000000 0.369708000000 0.204848000000 0.098974000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
38.494500000000 15.039400000000 4.453490000000 1.850950000000 1.108820000000 0.515640000000 0.250798000000 0.147239000000 0.072502300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
86.981200000000 17.457700000000 7.326940000000 3.770280000000 1.673130000000 0.823866000000 0.457556000000 0.162765000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
43.861900000000 10.856000000000 5.634690000000 2.801230000000 1.383790000000 0.797718000000 0.323571000000
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
16.977900000000 5.991990000000 3.011120000000 1.468550000000 0.678115000000
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
9.485780000000 4.318360000000 1.790550000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.358500000000
1.000000000000
Co:def2-QZVPP-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
15 13 11 8 7 5 2
15 13 11 8 7 5 2
2789.130000000000 561.534000000000 215.560000000000 51.373100000000 29.553800000000 18.049500000000 11.251000000000 8.232710000000 5.261420000000 2.891800000000 1.170520000000 0.631136000000 0.316515000000 0.139532000000 0.070383200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
513.345000000000 142.941000000000 81.051500000000 33.731800000000 19.386900000000 10.689700000000 5.672520000000 2.712060000000 1.505510000000 0.638556000000 0.243339000000 0.129991000000 0.074804900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
88.692700000000 40.956100000000 26.882900000000 13.567900000000 6.463030000000 2.684160000000 1.662830000000 0.883637000000 0.576728000000 0.252854000000 0.117875000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
48.147500000000 12.598400000000 8.304360000000 4.318530000000 2.389200000000 1.094730000000 0.686686000000 0.262930000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
22.136700000000 9.353480000000 6.097870000000 3.025200000000 1.723330000000 0.919836000000 0.433898000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.276200000000 6.618900000000 2.990350000000 1.319310000000 0.502607000000
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
7.670210000000 2.389360000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Co: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
30.712700000000 14.761700000000 6.807410000000 3.174520000000 1.587850000000 0.793555000000 0.365003000000 0.175000000000 0.076661800000 0.040171600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
64.592800000000 24.651900000000 12.326000000000 3.823440000000 1.882940000000 0.840200000000 0.427000000000 0.227861000000 0.106967000000 0.074919100000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
29.396000000000 11.572000000000 6.666510000000 2.739630000000 1.138400000000 0.492944000000 0.228262000000
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
6.088440000000 2.992240000000 1.443800000000 0.639660000000
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
11.322700000000 3.644210000000 0.986361000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
6.539270000000 3.007910000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Co: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
87.913747500000 39.534164000000 18.518923000000 9.005099500000 4.528071500000 2.344443000000 1.244107500000 0.673315500000 0.369708000000 0.204848500000 0.098974000000 0.040140500000
-0.098619270000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.183843010000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.520690940000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
185.624980000000 45.527905000000 17.325520000000 4.453493500000 1.850949500000 1.108823900000 0.515639990000 0.250798170000 0.102123940000 0.021027600000
-0.385839750000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.559578350000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.130809340000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.904456400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
87.649600000000 21.889300000000 7.047820000000 3.311390000000 1.951610000000 0.854992000000 0.421984000000 0.163419000000 0.101370000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
50.898900000000 7.842340000000 3.855370000000 2.062660000000 1.182640000000 0.465830000000
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
15.670200000000 5.073610000000 2.525500000000 0.976093000000 0.579275000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.508570000000 3.011990000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Co: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
28.741200000000 11.960300000000 5.096280000000 2.344440000000 1.244110000000 0.673315000000 0.369708000000 0.204848000000 0.098974000000 0.040140500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
38.494500000000 15.039400000000 4.453490000000 1.850950000000 1.108820000000 0.515640000000 0.250798000000 0.147239000000 0.072502300000 0.021027600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
86.981200000000 17.457700000000 7.326940000000 3.770280000000 1.673130000000 0.823866000000 0.457556000000 0.162765000000 0.101370000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
43.861900000000 10.856000000000 5.634690000000 2.801230000000 1.383790000000 0.797718000000 0.323571000000
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
16.977900000000 5.991990000000 3.011120000000 1.468550000000 0.678115000000
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
9.485780000000 4.318360000000 1.790550000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.358500000000
1.000000000000
Co:def2-QZVPPD-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
15 13 11 8 7 5 2
15 13 11 8 7 5 2
2789.130000000000 561.534000000000 215.560000000000 51.373100000000 29.553800000000 18.049500000000 11.251000000000 8.232710000000 5.261420000000 2.891800000000 1.170520000000 0.631136000000 0.316515000000 0.139532000000 0.070383200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
513.345000000000 142.941000000000 81.051500000000 33.731800000000 19.386900000000 10.689700000000 5.672520000000 2.712060000000 1.505510000000 0.638556000000 0.243339000000 0.129991000000 0.074804900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
88.692700000000 40.956100000000 26.882900000000 13.567900000000 6.463030000000 2.684160000000 1.662830000000 0.883637000000 0.576728000000 0.252854000000 0.117875000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
48.147500000000 12.598400000000 8.304360000000 4.318530000000 2.389200000000 1.094730000000 0.686686000000 0.262930000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
22.136700000000 9.353480000000 6.097870000000 3.025200000000 1.723330000000 0.919836000000 0.433898000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.276200000000 6.618900000000 2.990350000000 1.319310000000 0.502607000000
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
7.670210000000 2.389360000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Co: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
10681.945621999999 4311.806043800000 1811.998927700000 792.052590700000 359.730860300000 169.541597200000 82.795918500000 41.825610800000 21.814586300000 11.721831700000 6.473835100000 3.665405400000 2.121580100000 1.251609400000 0.750179700000 0.455297300000 0.278835200000 0.171700300000 0.105922400000
0.135523298200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.175515380500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.534276671900 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.815705967100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 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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0.919778195200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
392.175442200000 158.059770400000 66.244486300000 28.791345800000 12.935822500000 5.987185600000 2.843617900000 1.380130700000 0.681434400000 0.340668600000 0.171599300000 0.086655500000
0.281426786800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.959582702900 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
117.414453800000 41.781685800000 17.978471400000 7.936392800000 3.693211600000 1.691419400000 0.729961900000 0.389177500000 0.192993600000 0.098037900000
0.299551816000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.954080033100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
44.977435600000 18.760541600000 8.086593900000 3.578639600000 1.614448900000 0.736921600000 0.337698000000
0.126803577700 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.475554768600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.870499003300 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
9.325989085900 2.824540212200 0.855461800000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
5.132409881500
1.000000000000
Co:def2-QZVPP-RI-J
Weigend's Coulomb fitting basis set
5
0 1 2 3 4
8 5 5 2 3
19 5 5 3 3
22984.741247000002 11624.109927000000 5640.312789800000 2645.037642900000 1371.041894400000 651.591047000000 339.590812200000 160.595797400000 80.401475400000 42.131683500000 21.173324000000 10.698379700000 5.371888700000 2.710829800000 1.340644500000 0.684478100000 0.350067300000 0.177106700000 0.089954800000
1.879174500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.100971900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
5.486763500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
6.382937200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
15.317660500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
19.384151700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
13.776060100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.430153500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-2.480728200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
17.166973500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
12.754955800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-5.336449500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.812487700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 4.936375000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.481242300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.305336100000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.143123400000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.035875600000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000605500000
2.489509800000 1.117837100000 0.505760500000 0.229881700000 0.104647900000
-0.047788400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.077994600000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.016110700000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 -0.018076600000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001013600000
39.100994700000 13.413658100000 4.593105700000 1.571036300000 0.537163300000
0.012071900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.061879400000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.101603200000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 -0.072091700000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006921600000
6.358902800000 1.841825200000 0.535968300000
-0.013940700000 0.000000000000
-0.001521300000 0.000000000000
0.000000000000 0.008509900000
18.195460900000 6.083376400000 2.021172900000
0.065067700000 0.000000000000 0.000000000000
0.000000000000 0.099422100000 0.000000000000
0.000000000000 0.000000000000 0.049378600000
Co:LANL2DZ-ECP-10
LANL2DZ ECP
*
NCORE = 10 LMAX =2
d-ul
-10.000000000000 1 434.107610400000
-66.724027600000 2 78.840275800000
-11.719224300000 2 19.603774900000
s-ul
3.000000000000 0 151.230758200000
20.155311000000 1 169.679002600000
413.376224400000 2 64.990942300000
133.872770500000 2 12.507628700000
p-ul
5.000000000000 0 92.731992400000
6.189235300000 1 121.191018300000
326.321591900000 2 48.626590900000
73.878897000000 2 11.996697100000
*
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