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

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Cr: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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0.000168840000 -0.000094162000 0.000019907000 -0.000004520400 0.000009111800 0.000000000000
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0.000026614000 0.000158410000 0.000269610000 0.467300000000 1.503800000000 1.000000000000
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2.221100000000 0.523100000000
0.423540000000
0.774110000000
Cr: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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2.251000000000 0.531500000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.445900000000
1.000000000000
Cr: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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Cr: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
135540000.000000000000 24240400.000000000000 5412270.000000000000 1447920.000000000000 448199.000000000000 155899.000000000000 59479.599999999999 24408.099999999999 10607.000000000000 4823.080000000000 2274.080000000000 1104.540000000000 550.099000000000 280.010000000000 145.330000000000 76.755100000000 41.159400000000 22.344500000000 12.229300000000 6.707770000000 3.656940000000 1.959780000000 1.017580000000 0.512913000000 0.194798000000 0.110969000000 0.052123000000 0.024489000000
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0.000023799000 0.000092491000 0.003488431000 0.557498900000 -0.676981200000 0.017301430000 2.316184000000 -5.794166000000 0.000000000000
0.000008057000 0.000038554000 0.000284233000 0.187802500000 -0.575156700000 1.083602000000 -1.854540000000 2.442772000000 1.000000000000
72029.600000000006 17890.900000000001 5678.280000000000 2138.750000000000 905.855000000000 415.645000000000 201.695000000000 102.040000000000 53.395500000000 28.757000000000 15.853600000000 8.863850000000 4.943340000000 2.697320000000 1.436430000000 0.748518000000 0.373310000000 0.157712000000 0.067484000000 0.028595000000
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0.000022000000 -0.000008000000 -0.000002000000 0.000002000000 0.000005000000 0.000007000000 -0.000007000000 0.000000000000
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0.002511000000 -0.000872000000 -0.000207000000 0.000262000000 0.000572000000 0.000646000000 -0.001075000000 0.000000000000
0.008447000000 -0.002947000000 -0.000693000000 0.000881000000 0.001792000000 0.002665000000 -0.002871000000 0.000000000000
0.024862000000 -0.008771000000 -0.002082000000 0.002635000000 0.005755000000 0.006493000000 -0.010885000000 0.000000000000
0.063705000000 -0.022914000000 -0.005405000000 0.006859000000 0.013921000000 0.020873000000 -0.022407000000 0.000000000000
0.136608000000 -0.050667000000 -0.012094000000 0.015281000000 0.033660000000 0.036692000000 -0.065525000000 0.000000000000
0.232102000000 -0.089116000000 -0.021098000000 0.026800000000 0.053340000000 0.086313000000 -0.081719000000 0.000000000000
0.302357000000 -0.122312000000 -0.029698000000 0.037469000000 0.088324000000 0.082504000000 -0.193985000000 0.000000000000
0.268322000000 -0.106788000000 -0.025047000000 0.032258000000 0.060672000000 0.183040000000 -0.141695000000 0.000000000000
0.128847000000 0.032618000000 0.010282000000 -0.012416000000 -0.005513000000 -0.152430000000 0.208158000000 0.000000000000
0.024014000000 0.261609000000 0.076888000000 -0.094342000000 -0.299380000000 -0.498933000000 1.648843000000 0.000000000000
-0.000236000000 0.401336000000 0.117322000000 -0.147945000000 -0.402192000000 -0.901093000000 -1.446218000000 0.000000000000
-0.001291000000 0.327251000000 0.116328000000 -0.159574000000 -0.192706000000 1.931139000000 -1.846291000000 0.000000000000
-0.000573000000 0.119544000000 -0.045052000000 0.042264000000 1.239407000000 -0.008287000000 3.635812000000 0.000000000000
-0.000033000000 0.010510000000 -0.372461000000 0.600880000000 0.144226000000 -1.725231000000 -2.744969000000 0.000000000000
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0.000001000000 0.000108000000 -0.209716000000 0.025420000000 -0.046876000000 0.103976000000 0.218532000000 1.000000000000
384.324000000000 115.621000000000 44.847800000000 19.612900000000 9.100830000000 4.418320000000 2.182870000000 1.068400000000 0.510624000000 0.235141000000 0.102836000000 0.041425000000
0.000166000000 -0.000187000000 -0.000270000000 -0.000398000000 0.000453000000 0.000000000000
0.001533000000 -0.001736000000 -0.002491000000 -0.003488000000 0.004853000000 0.000000000000
0.008273000000 -0.009425000000 -0.013690000000 -0.020248000000 0.024155000000 0.000000000000
0.029628000000 -0.033969000000 -0.049752000000 -0.071954000000 0.105467000000 0.000000000000
0.080432000000 -0.094962000000 -0.144596000000 -0.236258000000 0.323814000000 0.000000000000
0.168255000000 -0.197213000000 -0.292208000000 -0.409404000000 0.454221000000 0.000000000000
0.257347000000 -0.263968000000 -0.277469000000 0.016740000000 -1.009370000000 0.000000000000
0.301301000000 -0.177122000000 0.205770000000 1.007032000000 -0.342841000000 0.000000000000
0.275430000000 0.138805000000 0.686880000000 -0.242290000000 1.830297000000 0.000000000000
0.182077000000 0.452633000000 0.006800000000 -1.004623000000 -1.631699000000 0.000000000000
0.067534000000 0.374204000000 -0.631493000000 0.690958000000 0.302450000000 0.000000000000
0.006111000000 0.066200000000 -0.157142000000 0.244496000000 0.483827000000 1.000000000000
5.623600000000 1.903900000000 0.644500000000 0.218200000000
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
4.112100000000 1.332500000000 0.431800000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.006700000000 0.877000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
2.113100000000
1.000000000000
Cr:aug-cc-pVDZ
Dunning's correlation consistent basis set
4
0 1 2 3
7 6 4 2
21 17 9 3
6177194.000000000000 924929.500000000000 210486.500000000000 59620.050000000003 19450.759999999998 7022.056000000000 2738.763000000000 1135.814000000000 495.092300000000 224.748700000000 105.383600000000 50.193590000000 22.249570000000 10.982650000000 5.383665000000 2.343685000000 1.105202000000 0.487848000000 0.089599000000 0.033423000000 0.012470000000
0.000004128700 -0.000002301800 0.000000486300 -0.000000110250 0.000000217990 0.000000000000 0.000000000000
0.000032108000 -0.000017895000 0.000003776600 -0.000000853020 0.000001612900 0.000000000000 0.000000000000
0.000168840000 -0.000094162000 0.000019907000 -0.000004520400 0.000009111800 0.000000000000 0.000000000000
0.000712850000 -0.000397510000 0.000083892000 -0.000018916000 0.000035006000 0.000000000000 0.000000000000
0.002589300000 -0.001447000000 0.000306570000 -0.000069743000 0.000143530000 0.000000000000 0.000000000000
0.008377400000 -0.004694600000 0.000994410000 -0.000223790000 0.000403590000 0.000000000000 0.000000000000
0.024417000000 -0.013824000000 0.002962000000 -0.000675450000 0.001425200000 0.000000000000 0.000000000000
0.063651000000 -0.036746000000 0.007969500000 -0.001789300000 0.003114000000 0.000000000000 0.000000000000
0.142760000000 -0.086472000000 0.019550000000 -0.004477900000 0.009814400000 0.000000000000 0.000000000000
0.254130000000 -0.169670000000 0.040850000000 -0.009140100000 0.014747000000 0.000000000000 0.000000000000
0.300950000000 -0.250710000000 0.069290000000 -0.016106000000 0.039115000000 0.000000000000 0.000000000000
0.176650000000 -0.196120000000 0.061470000000 -0.013349000000 0.009170900000 0.000000000000 0.000000000000
0.069367000000 0.145720000000 -0.069813000000 0.014260000000 0.015599000000 0.000000000000 0.000000000000
0.117960000000 0.546670000000 -0.351760000000 0.089317000000 -0.281680000000 0.000000000000 0.000000000000
0.089162000000 0.397940000000 -0.382860000000 0.088853000000 -0.006895300000 0.000000000000 0.000000000000
0.011036000000 0.052770000000 0.267640000000 -0.063688000000 -0.176980000000 0.000000000000 0.000000000000
-0.000354600000 -0.004374500000 0.717600000000 -0.278330000000 1.443100000000 0.000000000000 0.000000000000
0.000105730000 0.000320400000 0.302080000000 -0.183010000000 -1.029300000000 0.000000000000 0.000000000000
0.000011146000 -0.000051421000 0.007749500000 0.679090000000 -1.307700000000 0.000000000000 0.000000000000
0.000026614000 0.000158410000 0.000269610000 0.467300000000 1.503800000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14454.200000000001 3421.676000000000 1111.387000000000 425.191800000000 180.262300000000 82.061170000000 39.297260000000 19.419590000000 9.828899000000 5.016810000000 2.487091000000 1.198780000000 0.558695000000 0.208924000000 0.084608000000 0.033258000000 0.013070000000
0.000044000000 -0.000015000000 0.000004000000 0.000004000000 0.000000000000 0.000000000000
0.000389000000 -0.000135000000 0.000032000000 0.000040000000 0.000000000000 0.000000000000
0.002241000000 -0.000777000000 0.000185000000 0.000229000000 0.000000000000 0.000000000000
0.009821000000 -0.003427000000 0.000810000000 0.001019000000 0.000000000000 0.000000000000
0.034471000000 -0.012189000000 0.002906000000 0.003602000000 0.000000000000 0.000000000000
0.097460000000 -0.035388000000 0.008391000000 0.010550000000 0.000000000000 0.000000000000
0.211980000000 -0.079915000000 0.019193000000 0.023702000000 0.000000000000 0.000000000000
0.333990000000 -0.132340000000 0.031564000000 0.039988000000 0.000000000000 0.000000000000
0.330140000000 -0.135400000000 0.033417000000 0.040437000000 0.000000000000 0.000000000000
0.152230000000 0.032008000000 -0.012907000000 -0.012074000000 0.000000000000 0.000000000000
0.020425000000 0.333850000000 -0.093659000000 -0.118940000000 0.000000000000 0.000000000000
-0.001360000000 0.461770000000 -0.149980000000 -0.178100000000 0.000000000000 0.000000000000
-0.001195000000 0.281290000000 -0.067234000000 -0.123860000000 0.000000000000 0.000000000000
-0.000197000000 0.041843000000 0.270760000000 0.429720000000 0.000000000000 0.000000000000
0.000023000000 -0.004002000000 0.575810000000 0.650790000000 0.000000000000 0.000000000000
-0.000009000000 0.001521000000 0.301120000000 0.064171000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
88.576800000000 26.204500000000 9.517470000000 3.822480000000 1.575120000000 0.628928000000 0.234424000000 0.076815000000 0.025170000000
0.003621000000 -0.004122000000 0.000000000000 0.000000000000
0.025766000000 -0.029307000000 0.000000000000 0.000000000000
0.097556000000 -0.115060000000 0.000000000000 0.000000000000
0.236310000000 -0.273070000000 0.000000000000 0.000000000000
0.358290000000 -0.314420000000 0.000000000000 0.000000000000
0.368540000000 0.042097000000 0.000000000000 0.000000000000
0.235490000000 0.591400000000 0.000000000000 0.000000000000
0.053156000000 0.358220000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.221100000000 0.523100000000 0.176360000000
0.423540000000 0.000000000000
0.774110000000 0.000000000000
0.000000000000 1.000000000000
Cr: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
61771940.000000000000 924929.500000000000 210486.500000000000 59620.050000000003 19450.759999999998 7022.056000000000 2738.763000000000 1135.814000000000 495.092300000000 224.748700000000 105.383600000000 50.193590000000 22.249570000000 10.982650000000 5.383665000000 2.343685000000 1.105202000000 0.487848000000 0.089599000000 0.033423000000 0.012470000000
0.000004129000 -0.000002302000 0.000000486000 -0.000000110000 0.000000218000 -0.000000367000 0.000000000000 0.000000000000
0.000032108000 -0.000017895000 0.000003777000 -0.000000853000 0.000001613000 -0.000002768000 0.000000000000 0.000000000000
0.000168842000 -0.000094162000 0.000019907000 -0.000004520000 0.000009112000 -0.000015210000 0.000000000000 0.000000000000
0.000712852000 -0.000397507000 0.000083892000 -0.000018916000 0.000035006000 -0.000060663000 0.000000000000 0.000000000000
0.002589325000 -0.001447025000 0.000306571000 -0.000069743000 0.000143532000 -0.000237496000 0.000000000000 0.000000000000
0.008377350000 -0.004694622000 0.000994411000 -0.000223787000 0.000403590000 -0.000707707000 0.000000000000 0.000000000000
0.024417250000 -0.013823870000 0.002961959000 -0.000675450000 0.001425177000 -0.002334389000 0.000000000000 0.000000000000
0.063651350000 -0.036746430000 0.007969473000 -0.001789346000 0.003114009000 -0.005555062000 0.000000000000 0.000000000000
0.142761800000 -0.086471850000 0.019550170000 -0.004477858000 0.009814449000 -0.015851420000 0.000000000000 0.000000000000
0.254127500000 -0.169673500000 0.040850350000 -0.009140144000 0.014746980000 -0.027378880000 0.000000000000 0.000000000000
0.300951200000 -0.250708900000 0.069290030000 -0.016105620000 0.039115120000 -0.061069750000 0.000000000000 0.000000000000
0.176651300000 -0.196115600000 0.061469840000 -0.013348700000 0.009170888000 -0.028872270000 0.000000000000 0.000000000000
0.069367090000 0.145724400000 -0.069813020000 0.014260270000 0.015598780000 0.006813714000 0.000000000000 0.000000000000
0.117957900000 0.546670600000 -0.351759700000 0.089316900000 -0.281684400000 0.432767000000 0.000000000000 0.000000000000
0.089161870000 0.397943400000 -0.382862900000 0.088852790000 -0.006895261000 0.196841000000 0.000000000000 0.000000000000
0.011036300000 0.052770070000 0.267640100000 -0.063687760000 -0.176978100000 -0.376465700000 0.000000000000 0.000000000000
-0.000354605000 -0.004374537000 0.717595000000 -0.278326200000 1.443061000000 -2.052473000000 0.000000000000 0.000000000000
0.000105731000 0.000320404000 0.302081400000 -0.183007100000 -1.029318000000 2.975741000000 0.000000000000 0.000000000000
0.000011146000 -0.000051421000 0.007749514000 0.679093700000 -1.307667000000 -2.211705000000 0.000000000000 0.000000000000
0.000026614000 0.000158413000 0.000269610000 0.467295300000 1.503842000000 1.370188000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14454.200000000001 3421.676000000000 1111.387000000000 425.191800000000 180.262300000000 82.061170000000 39.297260000000 19.419590000000 9.828899000000 5.016810000000 2.487091000000 1.198780000000 0.558695000000 0.208924000000 0.084608000000 0.033258000000 0.013070000000
0.000044000000 -0.000015000000 0.000004000000 0.000004000000 0.000010000000 0.000000000000 0.000000000000
0.000389000000 -0.000135000000 0.000032000000 0.000040000000 0.000079000000 0.000000000000 0.000000000000
0.002241000000 -0.000777000000 0.000185000000 0.000229000000 0.000512000000 0.000000000000 0.000000000000
0.009821000000 -0.003427000000 0.000810000000 0.001019000000 0.002023000000 0.000000000000 0.000000000000
0.034471000000 -0.012189000000 0.002906000000 0.003602000000 0.008055000000 0.000000000000 0.000000000000
0.097460000000 -0.035388000000 0.008391000000 0.010550000000 0.020772000000 0.000000000000 0.000000000000
0.211985000000 -0.079915000000 0.019193000000 0.023702000000 0.054224000000 0.000000000000 0.000000000000
0.333990000000 -0.132335000000 0.031564000000 0.039988000000 0.074685000000 0.000000000000 0.000000000000
0.330137000000 -0.135401000000 0.033417000000 0.040437000000 0.115989000000 0.000000000000 0.000000000000
0.152227000000 0.032008000000 -0.012907000000 -0.012074000000 -0.076584000000 0.000000000000 0.000000000000
0.020425000000 0.333849000000 -0.093659000000 -0.118939000000 -0.243931000000 0.000000000000 0.000000000000
-0.001360000000 0.461773000000 -0.149977000000 -0.178100000000 -0.680181000000 0.000000000000 0.000000000000
-0.001195000000 0.281290000000 -0.067234000000 -0.123865000000 0.733664000000 0.000000000000 0.000000000000
-0.000197000000 0.041843000000 0.270759000000 0.429722000000 0.999120000000 0.000000000000 0.000000000000
0.000023000000 -0.004002000000 0.575807000000 0.650786000000 -1.017081000000 0.000000000000 0.000000000000
-0.000009000000 0.001521000000 0.301121000000 0.064171000000 -0.120091000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
88.576800000000 26.204500000000 9.517470000000 3.822480000000 1.575120000000 0.628928000000 0.234424000000 0.076815000000 0.025170000000
0.003621000000 -0.004122000000 0.005954000000 0.000000000000 0.000000000000
0.025766000000 -0.029307000000 0.042532000000 0.000000000000 0.000000000000
0.097556000000 -0.115062000000 0.174511000000 0.000000000000 0.000000000000
0.236312000000 -0.273068000000 0.393900000000 0.000000000000 0.000000000000
0.358286000000 -0.314423000000 0.149279000000 0.000000000000 0.000000000000
0.368543000000 0.042097000000 -0.810245000000 0.000000000000 0.000000000000
0.235494000000 0.591403000000 0.010911000000 0.000000000000 0.000000000000
0.053156000000 0.358215000000 0.701404000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.251000000000 0.531500000000 0.176360000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.445900000000 0.513290000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cr: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
11016640.000000000000 1649423.000000000000 375358.900000000023 106323.600000000006 34689.760000000002 12524.830000000000 4885.752000000000 2026.918000000000 884.364500000000 402.317000000000 189.527100000000 91.860950000000 45.124760000000 20.625120000000 10.319730000000 5.157723000000 2.312628000000 1.103079000000 0.498042000000 0.118247000000 0.057356000000 0.025760000000 0.011570000000
0.000002003000 -0.000001119000 0.000000236000 -0.000000053000 -0.000000104000 -0.000000167000 -0.000000202000 0.000000000000 0.000000000000
0.000015571000 -0.000008703000 0.000001836000 -0.000000417000 -0.000000829000 -0.000001332000 -0.000001476000 0.000000000000 0.000000000000
0.000081921000 -0.000045770000 0.000009644000 -0.000002184000 -0.000004199000 -0.000006765000 -0.000008479000 0.000000000000 0.000000000000
0.000346013000 -0.000193480000 0.000040852000 -0.000009275000 -0.000018658000 -0.000029945000 -0.000031867000 0.000000000000 0.000000000000
0.001260141000 -0.000704692000 0.000148540000 -0.000033618000 -0.000063861000 -0.000102993000 -0.000134402000 0.000000000000 0.000000000000
0.004099273000 -0.002299139000 0.000486864000 -0.000110623000 -0.000225258000 -0.000361187000 -0.000366534000 0.000000000000 0.000000000000
0.012134240000 -0.006833193000 0.001448156000 -0.000327521000 -0.000613165000 -0.000990341000 -0.001355222000 0.000000000000 0.000000000000
0.032716360000 -0.018664930000 0.004010503000 -0.000912267000 -0.001886356000 -0.003022002000 -0.002884635000 0.000000000000 0.000000000000
0.079122960000 -0.046248350000 0.010095790000 -0.002281936000 -0.004185316000 -0.006778242000 -0.009908511000 0.000000000000 0.000000000000
0.163839700000 -0.101382000000 0.023214930000 -0.005294506000 -0.011231720000 -0.017987190000 -0.015474880000 0.000000000000 0.000000000000
0.265510700000 -0.183939000000 0.045240560000 -0.010225480000 -0.017915440000 -0.029260940000 -0.049252320000 0.000000000000 0.000000000000
0.278967100000 -0.246935600000 0.070250010000 -0.016184640000 -0.037141980000 -0.059508320000 -0.035339060000 0.000000000000 0.000000000000
0.144446600000 -0.159739000000 0.050321350000 -0.011242110000 -0.011264850000 -0.020300540000 -0.099634990000 0.000000000000 0.000000000000
0.069416060000 0.194093600000 -0.093509920000 0.020962360000 0.015229750000 0.029950490000 0.214018300000 0.000000000000 0.000000000000
0.119515300000 0.546147900000 -0.365024900000 0.090506670000 0.245864000000 0.420256000000 0.213756100000 0.000000000000 0.000000000000
0.080845820000 0.361057100000 -0.353088900000 0.086420790000 0.078828020000 0.184482600000 0.860979800000 0.000000000000 0.000000000000
0.009975024000 0.046586470000 0.282972000000 -0.078536300000 -0.018629560000 -0.452665400000 -2.925843000000 0.000000000000 0.000000000000
-0.000286577000 -0.003493969000 0.700195500000 -0.252600700000 -1.096262000000 -1.892157000000 1.966558000000 0.000000000000 0.000000000000
0.000117605000 0.000260007000 0.306747300000 -0.213357900000 0.551096600000 2.848594000000 0.751565100000 0.000000000000 0.000000000000
-0.000021640000 -0.000244010000 0.010831390000 0.357790800000 1.894727000000 -1.124775000000 -4.107397000000 0.000000000000 0.000000000000
0.000050327000 0.000326644000 -0.001458427000 0.569114500000 -1.315773000000 -0.981066900000 5.701781000000 0.000000000000 0.000000000000
0.000002326000 -0.000020704000 0.001552323000 0.237113800000 -0.471570800000 1.359031000000 -2.735618000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
31539.889999999999 7460.234000000000 2422.622000000000 927.754700000000 394.804100000000 180.802700000000 87.423930000000 44.034270000000 22.777040000000 12.015470000000 6.411751000000 3.381136000000 1.747054000000 0.885004000000 0.433028000000 0.173415000000 0.072608000000 0.029915000000 0.012330000000
0.000011000000 -0.000004000000 0.000001000000 0.000001000000 0.000003000000 -0.000003000000 0.000000000000 0.000000000000
0.000100000000 -0.000035000000 0.000008000000 0.000010000000 0.000021000000 -0.000031000000 0.000000000000 0.000000000000
0.000587000000 -0.000203000000 0.000048000000 0.000061000000 0.000134000000 -0.000150000000 0.000000000000 0.000000000000
0.002667000000 -0.000926000000 0.000218000000 0.000277000000 0.000559000000 -0.000815000000 0.000000000000 0.000000000000
0.009991000000 -0.003487000000 0.000827000000 0.001041000000 0.002297000000 -0.002583000000 0.000000000000 0.000000000000
0.031493000000 -0.011141000000 0.002626000000 0.003338000000 0.006727000000 -0.009813000000 0.000000000000 0.000000000000
0.083266000000 -0.030128000000 0.007172000000 0.009013000000 0.019990000000 -0.022116000000 0.000000000000 0.000000000000
0.177328000000 -0.066484000000 0.015738000000 0.020013000000 0.039789000000 -0.060296000000 0.000000000000 0.000000000000
0.289230000000 -0.112854000000 0.027154000000 0.034000000000 0.078426000000 -0.078187000000 0.000000000000 0.000000000000
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0.210887000000 -0.050057000000 0.011493000000 0.013804000000 0.060972000000 -0.013523000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
268.040000000000 80.222300000000 30.895000000000 13.248100000000 6.040770000000 2.861590000000 1.355450000000 0.628248000000 0.280623000000 0.118668000000 0.045931000000 0.017780000000
0.000360000000 -0.000407000000 -0.000582000000 0.000828000000 0.000000000000 0.000000000000
0.003236000000 -0.003677000000 -0.005276000000 0.008072000000 0.000000000000 0.000000000000
0.016153000000 -0.018422000000 -0.026723000000 0.038960000000 0.000000000000 0.000000000000
0.053418000000 -0.062050000000 -0.092012000000 0.149706000000 0.000000000000 0.000000000000
0.133524000000 -0.158946000000 -0.242341000000 0.387933000000 0.000000000000 0.000000000000
0.238637000000 -0.262900000000 -0.338356000000 0.297034000000 0.000000000000 0.000000000000
0.309455000000 -0.243883000000 -0.013886000000 -0.875806000000 0.000000000000 0.000000000000
0.305691000000 0.037740000000 0.673170000000 -0.295852000000 0.000000000000 0.000000000000
0.218289000000 0.427064000000 0.261089000000 1.204424000000 0.000000000000 0.000000000000
0.089693000000 0.442812000000 -0.661396000000 -0.529893000000 0.000000000000 0.000000000000
0.009672000000 0.096549000000 -0.224558000000 -0.345572000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.761100000000 1.092800000000 0.317500000000 0.103730000000
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
2.614300000000 0.695100000000 0.245450000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.677500000000 0.632920000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cr: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
135540000.000000000000 24240400.000000000000 5412270.000000000000 1447920.000000000000 448199.000000000000 155899.000000000000 59479.599999999999 24408.099999999999 10607.000000000000 4823.080000000000 2274.080000000000 1104.540000000000 550.099000000000 280.010000000000 145.330000000000 76.755100000000 41.159400000000 22.344500000000 12.229300000000 6.707770000000 3.656940000000 1.959780000000 1.017580000000 0.512913000000 0.194798000000 0.110969000000 0.052123000000 0.024489000000 0.011510000000
0.000000079000 -0.000000044000 0.000000009000 -0.000000002000 -0.000000004000 -0.000000006000 -0.000000008000 -0.000000010000 0.000000000000 0.000000000000
0.000000523000 -0.000000292000 0.000000062000 -0.000000014000 -0.000000027000 -0.000000043000 -0.000000054000 -0.000000069000 0.000000000000 0.000000000000
0.000003031000 -0.000001694000 0.000000357000 -0.000000081000 -0.000000160000 -0.000000251000 -0.000000309000 -0.000000382000 0.000000000000 0.000000000000
0.000013889000 -0.000007763000 0.000001637000 -0.000000371000 -0.000000728000 -0.000001134000 -0.000001453000 -0.000001858000 0.000000000000 0.000000000000
0.000053861000 -0.000030103000 0.000006346000 -0.000001439000 -0.000002851000 -0.000004471000 -0.000005466000 -0.000006687000 0.000000000000 0.000000000000
0.000182623000 -0.000102094000 0.000021537000 -0.000004884000 -0.000009553000 -0.000014861000 -0.000019245000 -0.000024849000 0.000000000000 0.000000000000
0.000558633000 -0.000312403000 0.000065886000 -0.000014939000 -0.000029682000 -0.000046631000 -0.000056266000 -0.000067930000 0.000000000000 0.000000000000
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0.096910520000 0.430099900000 -0.257299200000 0.061845110000 0.111435900000 0.176332100000 0.420280500000 0.775364600000 0.000000000000 0.000000000000
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72029.600000000006 17890.900000000001 5678.280000000000 2138.750000000000 905.855000000000 415.645000000000 201.695000000000 102.040000000000 53.395500000000 28.757000000000 15.853600000000 8.863850000000 4.943340000000 2.697320000000 1.436430000000 0.748518000000 0.373310000000 0.157712000000 0.067484000000 0.028595000000 0.012120000000
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0.232102000000 -0.089116000000 -0.021098000000 0.026800000000 0.053340000000 0.086313000000 -0.081719000000 0.000000000000 0.000000000000
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0.268322000000 -0.106788000000 -0.025047000000 0.032258000000 0.060672000000 0.183040000000 -0.141695000000 0.000000000000 0.000000000000
0.128847000000 0.032618000000 0.010282000000 -0.012416000000 -0.005513000000 -0.152430000000 0.208158000000 0.000000000000 0.000000000000
0.024014000000 0.261609000000 0.076888000000 -0.094342000000 -0.299380000000 -0.498933000000 1.648843000000 0.000000000000 0.000000000000
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0.000001000000 0.000108000000 -0.209716000000 0.025420000000 -0.046876000000 0.103976000000 0.218532000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
384.324000000000 115.621000000000 44.847800000000 19.612900000000 9.100830000000 4.418320000000 2.182870000000 1.068400000000 0.510624000000 0.235141000000 0.102836000000 0.041425000000 0.016690000000
0.000166000000 -0.000187000000 -0.000270000000 -0.000398000000 0.000453000000 0.000000000000 0.000000000000
0.001533000000 -0.001736000000 -0.002491000000 -0.003488000000 0.004853000000 0.000000000000 0.000000000000
0.008273000000 -0.009425000000 -0.013690000000 -0.020248000000 0.024155000000 0.000000000000 0.000000000000
0.029628000000 -0.033969000000 -0.049752000000 -0.071954000000 0.105467000000 0.000000000000 0.000000000000
0.080432000000 -0.094962000000 -0.144596000000 -0.236258000000 0.323814000000 0.000000000000 0.000000000000
0.168255000000 -0.197213000000 -0.292208000000 -0.409404000000 0.454221000000 0.000000000000 0.000000000000
0.257347000000 -0.263968000000 -0.277469000000 0.016740000000 -1.009370000000 0.000000000000 0.000000000000
0.301301000000 -0.177122000000 0.205770000000 1.007032000000 -0.342841000000 0.000000000000 0.000000000000
0.275430000000 0.138805000000 0.686880000000 -0.242290000000 1.830297000000 0.000000000000 0.000000000000
0.182077000000 0.452633000000 0.006800000000 -1.004623000000 -1.631699000000 0.000000000000 0.000000000000
0.067534000000 0.374204000000 -0.631493000000 0.690958000000 0.302450000000 0.000000000000 0.000000000000
0.006111000000 0.066200000000 -0.157142000000 0.244496000000 0.483827000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.623600000000 1.903900000000 0.644500000000 0.218200000000 0.071020000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.112100000000 1.332500000000 0.431800000000 0.148260000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.006700000000 0.877000000000 0.326510000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.113100000000
1.000000000000
Cr: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
6177194.000000000000 924929.500000000000 210486.500000000000 59620.050000000003 19450.759999999998 7022.056000000000 2738.763000000000 1135.814000000000 495.092300000000 224.748700000000 105.383600000000 50.193590000000 22.249570000000 10.982650000000 5.383665000000 4.788000000000 2.343685000000 1.140400000000 1.105202000000 0.487848000000 0.089599000000 0.033423000000 0.012470000000
0.000004128667 -0.000002301772 0.000000000000 0.000000000000 0.000000486296 -0.000000110245 -0.000000366901 0.000000000000 0.000000217989 0.000000000000
0.000032107670 -0.000017895360 0.000000000000 0.000000000000 0.000003776645 -0.000000853023 -0.000002768353 0.000000000000 0.000001612940 0.000000000000
0.000168841600 -0.000094161740 0.000000000000 0.000000000000 0.000019906640 -0.000004520358 -0.000015210140 0.000000000000 0.000009111842 0.000000000000
0.000712852000 -0.000397507400 0.000000000000 0.000000000000 0.000083891640 -0.000018916120 -0.000060662880 0.000000000000 0.000035006450 0.000000000000
0.002589325000 -0.001447025000 0.000000000000 0.000000000000 0.000306570600 -0.000069743440 -0.000237495900 0.000000000000 0.000143531500 0.000000000000
0.008377350000 -0.004694622000 0.000000000000 0.000000000000 0.000994410700 -0.000223786700 -0.000707707100 0.000000000000 0.000403589600 0.000000000000
0.024417250000 -0.013823870000 0.000000000000 0.000000000000 0.002961959000 -0.000675450300 -0.002334389000 0.000000000000 0.001425177000 0.000000000000
0.063651350000 -0.036746430000 0.000000000000 0.000000000000 0.007969473000 -0.001789346000 -0.005555062000 0.000000000000 0.003114009000 0.000000000000
0.142761800000 -0.086471850000 0.000000000000 0.000000000000 0.019550170000 -0.004477858000 -0.015851420000 0.000000000000 0.009814449000 0.000000000000
0.254127500000 -0.169673500000 0.000000000000 0.000000000000 0.040850350000 -0.009140144000 -0.027378880000 0.000000000000 0.014746980000 0.000000000000
0.300951200000 -0.250708900000 0.000000000000 0.000000000000 0.069290030000 -0.016105620000 -0.061069750000 0.000000000000 0.039115120000 0.000000000000
0.176651300000 -0.196115600000 0.000000000000 0.000000000000 0.061469840000 -0.013348700000 -0.028872270000 0.000000000000 0.009170888000 0.000000000000
0.069367090000 0.145724400000 0.000000000000 0.000000000000 -0.069813020000 0.014260270000 0.006813714000 0.000000000000 0.015598780000 0.000000000000
0.117957900000 0.546670600000 0.000000000000 0.000000000000 -0.351759700000 0.089316900000 0.432767000000 0.000000000000 -0.281684400000 0.000000000000
0.089161870000 0.397943400000 0.000000000000 0.000000000000 -0.382862900000 0.088852790000 0.196841000000 0.000000000000 -0.006895261000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.011036300000 0.052770070000 0.000000000000 0.000000000000 0.267640100000 -0.063687760000 -0.376465700000 0.000000000000 -0.176978100000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000105731100 0.000320403500 0.000000000000 0.000000000000 0.302081400000 -0.183007100000 2.975741000000 0.000000000000 -1.029318000000 0.000000000000
0.000011146400 -0.000051420770 0.000000000000 0.000000000000 0.007749514000 0.679093700000 -2.211705000000 0.000000000000 -1.307667000000 0.000000000000
0.000026613870 0.000158413400 0.000000000000 0.000000000000 0.000269609600 0.467295300000 1.370188000000 1.000000000000 1.503842000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14454.200000000001 3421.676000000000 1111.387000000000 425.191800000000 180.262300000000 82.061170000000 39.297260000000 19.419590000000 9.828899000000 5.250900000000 5.016810000000 2.487091000000 1.205100000000 1.198780000000 0.558695000000 0.208924000000 0.084608000000 0.033258000000 0.013070000000
0.000044000000 0.000000000000 0.000000000000 -0.000015000000 0.000004000000 0.000010000000 0.000004000000 0.000000000000 0.000000000000
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0.330137000000 0.000000000000 0.000000000000 -0.135401000000 0.040437000000 0.115989000000 0.033417000000 0.000000000000 0.000000000000
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0.152227000000 0.000000000000 0.000000000000 0.032008000000 -0.012074000000 -0.076584000000 -0.012907000000 0.000000000000 0.000000000000
0.020425000000 0.000000000000 0.000000000000 0.333849000000 -0.118939000000 -0.243931000000 -0.093659000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.001360000000 0.000000000000 0.000000000000 0.461773000000 -0.178100000000 -0.680181000000 -0.149977000000 0.000000000000 0.000000000000
-0.001195000000 0.000000000000 0.000000000000 0.281290000000 -0.123865000000 0.733664000000 -0.067234000000 0.000000000000 0.000000000000
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0.000023000000 0.000000000000 0.000000000000 -0.004002000000 0.650786000000 -1.017081000000 0.575807000000 0.000000000000 0.000000000000
-0.000009000000 0.000000000000 0.000000000000 0.001521000000 0.064171000000 -0.120091000000 0.301121000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
88.576800000000 26.204500000000 9.517470000000 3.822480000000 3.407700000000 1.592200000000 1.575120000000 0.628928000000 0.234424000000 0.076815000000 0.025170000000
0.000000000000 0.000000000000 0.003621000000 -0.004122000000 0.005954000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.025766000000 -0.029307000000 0.042532000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.097556000000 -0.115062000000 0.174511000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.236312000000 -0.273068000000 0.393900000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.358286000000 -0.314423000000 0.149279000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.368543000000 0.042097000000 -0.810245000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.235494000000 0.591403000000 0.010911000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.053156000000 0.358215000000 0.701404000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.385700000000 1.601800000000 0.531500000000 0.176360000000
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
4.073000000000 1.445900000000 0.513290000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Cr:aug-cc-pwCVQZ
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
11 10 8 5 4 3
25 21 14 5 4 3
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Cr:aug-cc-pwCV5Z
Dunning's correlation consistent basis set
7
0 1 2 3 4 5 6
12 11 9 6 5 4 3
31 23 15 6 5 4 3
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0.000000000000 0.000000000000 0.257347000000 -0.263968000000 -0.277469000000 0.016740000000 -1.009370000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.301301000000 -0.177122000000 0.205770000000 1.007032000000 -0.342841000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.275430000000 0.138805000000 0.686880000000 -0.242290000000 1.830297000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.182077000000 0.452633000000 0.006800000000 -1.004623000000 -1.631699000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.067534000000 0.374204000000 -0.631493000000 0.690958000000 0.302450000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.006111000000 0.066200000000 -0.157142000000 0.244496000000 0.483827000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.179500000000 3.552900000000 1.543300000000 0.670400000000 0.218200000000 0.071020000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.538800000000 2.639200000000 1.257600000000 0.431800000000 0.148260000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.184400000000 2.355600000000 0.877000000000 0.326510000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.198800000000 2.113100000000 0.858890000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Cr:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 3 2
14 9 5
51528.086348999997 7737.210348700000 1760.374847000000 496.877065440000 161.465205980000 55.466352268000 107.547329990000 12.408671897000 5.042362882600 8.546164016500 1.390044122100 0.560666028760 0.071483705972 0.028250687604
0.001440582311 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.011036202287 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054676651806 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.189650381030 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.382954128500 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.290900506680 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.109322811000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.644725994710 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.462627125600 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.227110132860 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.733015275910 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.442255654330 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
640.485360960000 150.697111940000 47.503755296000 16.934120165000 6.240968059000 3.088546320600 1.179104776900 0.433697744320 0.120675000000
0.009612671520 0.000000000000 0.000000000000
0.070889834655 0.000000000000 0.000000000000
0.270652589900 0.000000000000 0.000000000000
0.524373434140 0.000000000000 0.000000000000
0.341079947140 0.000000000000 0.000000000000
0.000000000000 0.339739869030 0.000000000000
0.000000000000 0.572720629270 0.000000000000
0.000000000000 0.245827282060 0.000000000000
0.000000000000 0.000000000000 1.000000000000
27.559479426000 7.468702032700 2.434590357400 0.782447548080 0.219957743110
0.030612488044 0.000000000000
0.155932709440 0.000000000000
0.369844212760 0.000000000000
0.470711180770 0.000000000000
0.000000000000 0.339416498890
Cr:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
5 3 2 1
14 9 5 1
51528.086348999997 7737.210348700000 1760.374847000000 496.877065440000 161.465205980000 55.466352268000 107.547329990000 12.408671897000 5.042362882600 8.546164016500 1.390044122100 0.560666028760 0.071483705972 0.028250687604
0.001440582311 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.011036202287 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054676651806 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.189650381030 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.382954128500 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.290900506680 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.109322811000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.644725994710 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.462627125600 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.227110132860 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.733015275910 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.442255654330 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
640.485360960000 150.697111940000 47.503755296000 16.934120165000 6.240968059000 3.088546320600 1.179104776900 0.433697744320 0.120675000000
0.009612671520 0.000000000000 0.000000000000
0.070889834655 0.000000000000 0.000000000000
0.270652589900 0.000000000000 0.000000000000
0.524373434140 0.000000000000 0.000000000000
0.341079947140 0.000000000000 0.000000000000
0.000000000000 0.339739869030 0.000000000000
0.000000000000 0.572720629270 0.000000000000
0.000000000000 0.245827282060 0.000000000000
0.000000000000 0.000000000000 1.000000000000
27.559479426000 7.468702032700 2.434590357400 0.782447548080 0.219957743110
0.030612488044 0.000000000000
0.155932709440 0.000000000000
0.369844212760 0.000000000000
0.470711180770 0.000000000000
0.000000000000 0.339416498890
1.147000000000
1.000000000000
Cr:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 4 4 1
17 11 7 1
254477.807040000014 38131.797054000002 8675.293060700000 2455.009984800000 799.162177870000 286.900214890000 111.254132320000 43.864152636000 279.326691730000 86.274732376000 13.555756113000 5.697811275100 8.563658261500 1.398829676800 0.572881711160 0.090096171317 0.034125885135
0.000233869457 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001814260180 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009436392572 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.038343639367 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.124591948370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.294896960290 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.418461496070 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.216337634200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.023450908111 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.110803700270 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.530289658420 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.516035169470 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.381095456750 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.199159143600 0.000000000000 0.000000000000 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
1306.439886400000 309.253114410000 98.996273963000 36.756916451000 14.566657077000 5.873993743200 22.890999695000 3.085500182200 1.213232911800 0.449316806990 0.120675000000
0.002427732619 0.000000000000 0.000000000000 0.000000000000
0.019544041017 0.000000000000 0.000000000000 0.000000000000
0.090651794553 0.000000000000 0.000000000000 0.000000000000
0.256992791540 0.000000000000 0.000000000000 0.000000000000
0.409355048910 0.000000000000 0.000000000000 0.000000000000
0.237293888490 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028166026613 0.000000000000 0.000000000000
0.000000000000 0.560341201480 0.000000000000 0.000000000000
0.000000000000 0.981190196500 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
43.720074476000 12.391242652000 4.263944200600 1.552522179000 0.537619294850 0.164931730740 0.051000000000
0.013622964026 0.000000000000 0.000000000000 0.000000000000
0.078935180133 0.000000000000 0.000000000000 0.000000000000
0.238338400000 0.000000000000 0.000000000000 0.000000000000
0.395268511220 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.410617170560 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.244404107950 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.147000000000
1.000000000000
Cr:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 5 4 2 1
17 12 7 2 1
254477.807040000014 38131.797054000002 8675.293060700000 2455.009984800000 799.162177870000 286.900214890000 111.254132320000 43.864152636000 279.326691730000 86.274732376000 13.555756113000 5.697811275100 8.563658261500 1.398829676800 0.572881711160 0.090096171317 0.034125885135
0.000233869457 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001814260180 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009436392572 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.038343639367 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.124591948370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.294896960290 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.418461496070 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.216337634200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.023450908111 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.110803700270 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.530289658420 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.516035169470 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.381095456750 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.199159143600 0.000000000000 0.000000000000 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
1306.439886400000 309.253114410000 98.996273963000 36.756916451000 14.566657077000 5.873993743200 22.890999695000 3.085500182200 1.213232911800 0.449316806990 0.166400000000 0.061630000000
0.002427732619 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019544041017 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.090651794553 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.256992791540 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.409355048910 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.237293888490 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028166026613 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.560341201480 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.981190196500 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
43.720074476000 12.391242652000 4.263944200600 1.552522179000 0.537619294850 0.164931730740 0.051000000000
0.013622964026 0.000000000000 0.000000000000 0.000000000000
0.078935180133 0.000000000000 0.000000000000 0.000000000000
0.238338400000 0.000000000000 0.000000000000 0.000000000000
0.395268511220 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.410617170560 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.244404107950 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.341000000000 0.542000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.382000000000
1.000000000000
Cr:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 3 1
24 18 9 3 1
3637838.682000000030 544864.461000000010 123997.550789999994 35116.733165999998 11455.702298000000 4135.990671200000 1613.251358100000 668.779323800000 291.013651550000 131.573281670000 60.924567928000 1196.289960100000 369.769475920000 141.544260840000 60.999228765000 27.599113358000 12.882112056000 6.124751372100 2.633289530900 1.270848228900 0.564835759230 0.125968089430 0.062045607277 0.028144312720
0.000008769330 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000068169050 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000358445903 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001511700695 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005473192977 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.017539430107 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.050004870927 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.123935189580 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.250396064070 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.358704704290 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.275811488800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.007736864204 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.075837835399 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.344351486370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.632492979230 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6395.878179200000 1515.170157400000 491.705386810000 187.284166750000 78.800346444000 35.396291693000 16.509278879000 7.894739686300 3.713641446500 51.259312534000 17.934932523000 3.525717421800 1.633916390600 0.738524138340 0.307523681930 0.135000000000 0.059000000000 0.026000000000
0.000181047882 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001589365894 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008825873943 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036068946983 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.111896496480 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.252022398430 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.380822664300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.310352224370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.087980310362 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.006054203816 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028761764001 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.290877681700 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.612675250560 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.501260350180 0.000000000000 0.000000000000 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
118.249862880000 35.193935700000 13.057816022000 5.348560284400 2.300423371300 0.981143283050 0.403341832060 0.151355895510 0.060000000000
0.002101275743 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.016212269500 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.065581852668 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.178496014490 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.313767630160 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.733000000000 1.147000000000 0.366000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.382000000000
1.000000000000
Cr:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 3 2
24 18 9 3 2
3637838.682000000030 544864.461000000010 123997.550789999994 35116.733165999998 11455.702298000000 4135.990671200000 1613.251358100000 668.779323800000 291.013651550000 131.573281670000 60.924567928000 1196.289960100000 369.769475920000 141.544260840000 60.999228765000 27.599113358000 12.882112056000 6.124751372100 2.633289530900 1.270848228900 0.564835759230 0.125968089430 0.062045607277 0.028144312720
0.000008769330 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000068169050 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000358445903 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001511700695 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005473192977 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.017539430107 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.050004870927 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.123935189580 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.250396064070 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.358704704290 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.275811488800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.007736864204 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.075837835399 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.344351486370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.632492979230 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6395.878179200000 1515.170157400000 491.705386810000 187.284166750000 78.800346444000 35.396291693000 16.509278879000 7.894739686300 3.713641446500 51.259312534000 17.934932523000 3.525717421800 1.633916390600 0.738524138340 0.307523681930 0.135000000000 0.059000000000 0.026000000000
0.000181047882 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001589365894 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008825873943 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036068946983 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.111896496480 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.252022398430 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.380822664300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.310352224370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.087980310362 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.006054203816 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028761764001 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.290877681700 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.612675250560 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.501260350180 0.000000000000 0.000000000000 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
118.249862880000 35.193935700000 13.057816022000 5.348560284400 2.300423371300 0.981143283050 0.403341832060 0.151355895510 0.060000000000
0.002101275743 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.016212269500 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.065581852668 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.178496014490 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.313767630160 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.733000000000 1.147000000000 0.366000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.657000000000 0.719000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cr:def2-SVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
5 4 2 1
14 10 5 1
51528.086348999997 7737.210348700000 1760.374847000000 496.877065440000 161.465205980000 55.466352268000 107.547329990000 12.408671897000 5.042362882600 8.546164016500 1.390044122100 0.560666028760 0.071483705972 0.028250687604
0.001440582311 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.011036202287 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054676651806 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.189650381030 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.382954128500 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.290900506680 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.109322811000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.644725994710 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.462627125600 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.227110132860 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.733015275910 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.442255654330 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
640.485360960000 150.697111940000 47.503755296000 16.934120165000 6.240968059000 3.088546320600 1.179104776900 0.433697744320 0.120675000000 0.033978554488
0.009612671520 0.000000000000 0.000000000000 0.000000000000
0.070889834655 0.000000000000 0.000000000000 0.000000000000
0.270652589900 0.000000000000 0.000000000000 0.000000000000
0.524373434140 0.000000000000 0.000000000000 0.000000000000
0.341079947140 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.339739869030 0.000000000000 0.000000000000
0.000000000000 0.572720629270 0.000000000000 0.000000000000
0.000000000000 0.245827282060 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
27.559479426000 7.468702032700 2.434590357400 0.782447548080 0.219957743110
0.030612488044 0.000000000000
0.155932709440 0.000000000000
0.369844212760 0.000000000000
0.470711180770 0.000000000000
0.000000000000 0.339416498890
1.147000000000
1.000000000000
Cr:def2-TZVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 5 4 1
17 12 7 1
254477.807040000014 38131.797054000002 8675.293060700000 2455.009984800000 799.162177870000 286.900214890000 111.254132320000 43.864152636000 279.326691730000 86.274732376000 13.555756113000 5.697811275100 8.563658261500 1.398829676800 0.572881711160 0.090096171317 0.034125885135
0.000233869457 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001814260180 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009436392572 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.038343639367 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.124591948370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.294896960290 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.418461496070 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.216337634200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.023450908111 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.110803700270 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.530289658420 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.516035169470 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.381095456750 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.199159143600 0.000000000000 0.000000000000 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
1306.439886400000 309.253114410000 98.996273963000 36.756916451000 14.566657077000 5.873993743200 22.890999695000 3.085500182200 1.213232911800 0.449316806990 0.120675000000 0.025923467275
0.002427732619 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019544041017 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.090651794553 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.256992791540 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.409355048910 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.237293888490 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028166026613 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.560341201480 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.981190196500 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
43.720074476000 12.391242652000 4.263944200600 1.552522179000 0.537619294850 0.164931730740 0.051000000000
0.013622964026 0.000000000000 0.000000000000 0.000000000000
0.078935180133 0.000000000000 0.000000000000 0.000000000000
0.238338400000 0.000000000000 0.000000000000 0.000000000000
0.395268511220 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.410617170560 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.244404107950 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.147000000000
1.000000000000
Cr:def2-TZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 6 4 2 1
17 13 7 2 1
254477.807040000014 38131.797054000002 8675.293060700000 2455.009984800000 799.162177870000 286.900214890000 111.254132320000 43.864152636000 279.326691730000 86.274732376000 13.555756113000 5.697811275100 8.563658261500 1.398829676800 0.572881711160 0.090096171317 0.034125885135
0.000233869457 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001814260180 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009436392572 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.038343639367 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.124591948370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.294896960290 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.418461496070 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.216337634200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.023450908111 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.110803700270 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.530289658420 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.516035169470 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.381095456750 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.199159143600 0.000000000000 0.000000000000 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
1306.439886400000 309.253114410000 98.996273963000 36.756916451000 14.566657077000 5.873993743200 22.890999695000 3.085500182200 1.213232911800 0.449316806990 0.166400000000 0.061630000000 0.025923467275
0.002427732619 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019544041017 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.090651794553 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.256992791540 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.409355048910 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.237293888490 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028166026613 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.560341201480 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.981190196500 0.000000000000 0.000000000000 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
43.720074476000 12.391242652000 4.263944200600 1.552522179000 0.537619294850 0.164931730740 0.051000000000
0.013622964026 0.000000000000 0.000000000000 0.000000000000
0.078935180133 0.000000000000 0.000000000000 0.000000000000
0.238338400000 0.000000000000 0.000000000000 0.000000000000
0.395268511220 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.410617170560 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.244404107950 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.341000000000 0.542000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.382000000000
1.000000000000
Cr:def2-QZVPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 3 1
24 18 9 3 1
3637838.682000000030 544864.461000000010 123997.550789999994 35116.733165999998 11455.702298000000 4135.990671200000 1613.251358100000 668.779323800000 291.013651550000 131.573281670000 60.924567928000 1196.289960100000 369.769475920000 141.544260840000 60.999228765000 27.599113358000 12.882112056000 6.124751372100 2.633289530900 1.270848228900 0.564835759230 0.125968089430 0.062045607277 0.028144312720
0.000008769330 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000068169050 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000358445903 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001511700695 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005473192977 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.017539430107 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.050004870927 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.123935189580 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.250396064070 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.358704704290 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.275811488800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.007736864204 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.075837835399 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.344351486370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.632492979230 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6395.878179200000 1515.170157400000 491.705386810000 187.284166750000 78.800346444000 35.396291693000 16.509278879000 7.894739686300 3.713641446500 51.259312534000 17.934932523000 3.525717421800 1.633916390600 0.738524138340 0.307523681930 0.135000000000 0.059000000000 0.026000000000
0.000181047882 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001589365894 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008825873943 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036068946983 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.111896496480 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.252022398430 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.380822664300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.310352224370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.087980310362 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.006054203816 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028761764001 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.290877681700 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.612675250560 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.501260350180 0.000000000000 0.000000000000 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
118.249862880000 35.193935700000 13.057816022000 5.348560284400 2.300423371300 0.981143283050 0.403341832060 0.151355895510 0.060000000000
0.002101275743 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.016212269500 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.065581852668 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.178496014490 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.313767630160 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.733000000000 1.147000000000 0.366000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.382000000000
1.000000000000
Cr:def2-QZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 3 2
24 18 9 3 2
3637838.682000000030 544864.461000000010 123997.550789999994 35116.733165999998 11455.702298000000 4135.990671200000 1613.251358100000 668.779323800000 291.013651550000 131.573281670000 60.924567928000 1196.289960100000 369.769475920000 141.544260840000 60.999228765000 27.599113358000 12.882112056000 6.124751372100 2.633289530900 1.270848228900 0.564835759230 0.125968089430 0.062045607277 0.028144312720
0.000008769330 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000068169050 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000358445903 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001511700695 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005473192977 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.017539430107 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.050004870927 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.123935189580 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.250396064070 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.358704704290 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.275811488800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.007736864204 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.075837835399 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.344351486370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.632492979230 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6395.878179200000 1515.170157400000 491.705386810000 187.284166750000 78.800346444000 35.396291693000 16.509278879000 7.894739686300 3.713641446500 51.259312534000 17.934932523000 3.525717421800 1.633916390600 0.738524138340 0.307523681930 0.135000000000 0.059000000000 0.026000000000
0.000181047882 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001589365894 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008825873943 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036068946983 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.111896496480 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.252022398430 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.380822664300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.310352224370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.087980310362 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.006054203816 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.028761764001 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.290877681700 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.612675250560 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.501260350180 0.000000000000 0.000000000000 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
118.249862880000 35.193935700000 13.057816022000 5.348560284400 2.300423371300 0.981143283050 0.403341832060 0.151355895510 0.060000000000
0.002101275743 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.016212269500 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.065581852668 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.178496014490 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.313767630160 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.733000000000 1.147000000000 0.366000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.657000000000 0.719000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cr:LANL2DZ
Hay and Wadt's LANL2DZ Gaussian basis set
3
0 1 2
3 3 2
5 5 5
5.361000000000 1.449000000000 0.549600000000 0.105200000000 0.036400000000
-0.380568900000 0.220311100000 0.000000000000
0.779562500000 -0.542339100000 0.000000000000
0.473077700000 -0.604771600000 0.000000000000
0.000000000000 1.113665700000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
16.420000000000 1.914000000000 0.624100000000 0.063000000000 0.019000000000
-0.046139700000 0.000000000000 0.000000000000
0.610996500000 0.000000000000 0.000000000000
0.485963500000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
28.950000000000 7.708000000000 2.495000000000 0.765500000000 0.188900000000
0.033778700000 0.000000000000
0.178034500000 0.000000000000
0.437000800000 0.000000000000
0.594179500000 0.000000000000
0.000000000000 1.000000000000
Cr: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
1125.390000000000 341.170000000000 73.995100000000 31.245900000000 18.934000000000 9.256720000000 6.425750000000 3.380990000000 1.748980000000 0.984534000000 0.758085000000 0.337239000000 0.128563000000 0.075795000000 0.042102000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
421.364000000000 189.344000000000 39.421200000000 18.556200000000 9.177400000000 7.238060000000 3.893840000000 1.916850000000 1.280170000000 0.662766000000 0.331280000000 0.151677000000 0.073572000000 0.057624000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
161.521000000000 50.534200000000 22.263600000000 9.600040000000 6.764920000000 4.136100000000 2.117630000000 1.203270000000 0.710380000000 0.315499000000 0.126834000000 0.064490000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
80.484100000000 30.865100000000 10.853600000000 5.836150000000 3.981550000000 2.210720000000 1.132240000000 0.589006000000 0.283022000000 0.162113000000 0.132695000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
31.555800000000 13.152500000000 6.190490000000 4.290990000000 2.332170000000 1.194680000000 0.640652000000 0.492783000000 0.203392000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.324000000000 6.431190000000 3.908260000000 2.306240000000 0.920789000000 0.385634000000
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
8.001250000000 4.776400000000 2.171280000000 0.883034000000
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
Cr: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
104.809678000000 46.050145000000 21.039463000000 9.962928000000 4.871698000000 2.449796000000 1.261203000000 0.661526000000 0.351717000000 0.188542000000 0.101349000000
-0.541975220000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.222181500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.281937260000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
155.179168000000 45.541849000000 11.638363000000 3.221610600000 1.133436300000 0.683033370000 0.340396810000 0.185200920000 0.096285310000
-0.762995110000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.558333180000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.112127220000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.926385440000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
65.764775000000 16.112120000000 4.614522800000 2.504870560000 1.134975610000 0.587478730000 0.231227020000
1.987462830000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
10.000256000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.939269920000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.174344210000 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
34.917272000000 8.090408500000 3.949516900000 1.984692600000 0.935595990000 0.345132100000
-1.198325910000 0.000000000000 0.000000000000
0.913077780000 0.000000000000 0.000000000000
2.370201140000 0.000000000000 0.000000000000
1.136771410000 0.000000000000 0.000000000000
0.000000000000 1.330251570000 0.000000000000
0.000000000000 0.000000000000 0.837428110000
9.938720400000 3.321341400000 1.114791450000 0.405189730000
1.085161280000 0.000000000000
1.230039180000 0.000000000000
0.000000000000 -0.056891360000
0.000000000000 -0.160108580000
Cr: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
21.526700000000 10.371200000000 4.566880000000 2.147450000000 1.314960000000 0.608630000000 0.273793000000 0.137890000000 0.066232000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
50.813700000000 17.630600000000 8.838480000000 3.012040000000 1.506830000000 0.780071000000 0.390000000000 0.194164000000 0.089349900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
22.491000000000 8.683390000000 4.876000000000 1.773230000000 0.727409000000 0.281726000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.342430000000 1.883900000000 0.996559000000 0.387201000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.166220000000 2.263300000000 0.527508000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.046650000000 1.803790000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cr: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
104.809678000000 46.050145000000 21.039463000000 9.962928000000 4.871698000000 2.449796000000 1.261203000000 0.661526000000 0.351717000000 0.188542000000 0.101349000000
-0.541975220000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.222181500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.281937260000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
155.179168000000 45.541849000000 11.638363000000 3.221610600000 1.133436300000 0.683033370000 0.340396810000 0.185200920000 0.096285310000
-0.762995110000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.558333180000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.112127220000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.926385440000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
65.105500000000 16.866700000000 4.324330000000 2.016540000000 1.202660000000 0.637168000000 0.247500000000 0.099569000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
36.125700000000 5.822990000000 2.884130000000 1.524210000000 0.857198000000 0.328153000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.865400000000 4.037310000000 1.908560000000 0.827071000000 0.363869000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.922250000000 1.792260000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cr: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
21.039500000000 9.962930000000 4.871700000000 2.449800000000 1.261200000000 0.661526000000 0.351717000000 0.188542000000 0.101349000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
32.416900000000 11.655300000000 3.221610000000 1.133440000000 0.683033000000 0.340397000000 0.185201000000 0.102014000000 0.053929000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
69.944700000000 14.125300000000 5.865410000000 2.852920000000 1.213640000000 0.645845000000 0.256793000000 0.114377000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
35.291000000000 8.610430000000 3.973420000000 1.774010000000 0.827395000000 0.506166000000 0.191319000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.942200000000 4.026400000000 2.317440000000 1.132760000000 0.478845000000
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
6.469540000000 2.532100000000 1.021930000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.421080000000
1.000000000000
Cr: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
1549.390000000000 249.944000000000 100.416000000000 41.261000000000 23.185700000000 13.517100000000 7.026160000000 4.411120000000 2.499140000000 1.323740000000 0.596913000000 0.325212000000 0.170627000000 0.092199200000 0.047778300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
470.998000000000 148.491000000000 58.274800000000 24.274800000000 14.618300000000 9.269200000000 4.317890000000 2.103160000000 1.281830000000 0.505678000000 0.233283000000 0.129266000000 0.071704400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
87.596600000000 28.975200000000 15.862600000000 8.945510000000 4.266550000000 1.667010000000 1.061570000000 0.503188000000 0.212091000000 0.114211000000 0.063909500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
39.754100000000 14.000000000000 5.787700000000 3.300270000000 1.751710000000 0.913278000000 0.411539000000 0.193905000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
16.676900000000 6.800000000000 3.883560000000 1.959620000000 0.874888000000 0.418379000000 0.224346000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
8.243490000000 4.115230000000 2.013380000000 1.028590000000 0.538092000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.587030000000 1.297880000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cr: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
21.526700000000 10.371200000000 4.566880000000 2.147450000000 1.314960000000 0.608630000000 0.273793000000 0.137890000000 0.066232000000 0.041182200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
50.813700000000 17.630600000000 8.838480000000 3.012040000000 1.506830000000 0.780071000000 0.390000000000 0.194164000000 0.089349900000 0.061327900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
22.491000000000 8.683390000000 4.876000000000 1.773230000000 0.727409000000 0.281726000000 0.132055000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.342430000000 1.883900000000 0.996559000000 0.387201000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.166220000000 2.263300000000 0.527508000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.046650000000 1.803790000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cr: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
104.809678000000 46.050145000000 21.039463000000 9.962928000000 4.871698000000 2.449796000000 1.261203000000 0.661526000000 0.351717000000 0.188542000000 0.101349000000 0.055532300000
-0.541975220000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.222181500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.281937260000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
155.179168000000 45.541849000000 11.638363000000 3.221610600000 1.133436300000 0.683033370000 0.340396810000 0.185200920000 0.096285310000 0.027937000000
-0.762995110000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.558333180000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.112127220000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.926385440000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
65.105500000000 16.866700000000 4.324330000000 2.016540000000 1.202660000000 0.637168000000 0.247500000000 0.099569000000 0.068949000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
36.125700000000 5.822990000000 2.884130000000 1.524210000000 0.857198000000 0.328153000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.865400000000 4.037310000000 1.908560000000 0.827071000000 0.363869000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.922250000000 1.792260000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cr: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
21.039500000000 9.962930000000 4.871700000000 2.449800000000 1.261200000000 0.661526000000 0.351717000000 0.188542000000 0.101349000000 0.055532300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
32.416900000000 11.655300000000 3.221610000000 1.133440000000 0.683033000000 0.340397000000 0.185201000000 0.102014000000 0.053929000000 0.027937000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
69.944700000000 14.125300000000 5.865410000000 2.852920000000 1.213640000000 0.645845000000 0.256793000000 0.114377000000 0.068949000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
35.291000000000 8.610430000000 3.973420000000 1.774010000000 0.827395000000 0.506166000000 0.191319000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.942200000000 4.026400000000 2.317440000000 1.132760000000 0.478845000000
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
6.469540000000 2.532100000000 1.021930000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.421080000000
1.000000000000
Cr: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
1549.390000000000 249.944000000000 100.416000000000 41.261000000000 23.185700000000 13.517100000000 7.026160000000 4.411120000000 2.499140000000 1.323740000000 0.596913000000 0.325212000000 0.170627000000 0.092199200000 0.047778300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
470.998000000000 148.491000000000 58.274800000000 24.274800000000 14.618300000000 9.269200000000 4.317890000000 2.103160000000 1.281830000000 0.505678000000 0.233283000000 0.129266000000 0.071704400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
87.596600000000 28.975200000000 15.862600000000 8.945510000000 4.266550000000 1.667010000000 1.061570000000 0.503188000000 0.212091000000 0.114211000000 0.063909500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
39.754100000000 14.000000000000 5.787700000000 3.300270000000 1.751710000000 0.913278000000 0.411539000000 0.193905000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
16.676900000000 6.800000000000 3.883560000000 1.959620000000 0.874888000000 0.418379000000 0.224346000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
8.243490000000 4.115230000000 2.013380000000 1.028590000000 0.538092000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.587030000000 1.297880000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Cr: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
8420.816249300000 3506.068029800000 1516.053345200000 680.187182400000 316.288415400000 152.238625800000 75.739045800000 38.882347300000 20.559963800000 11.174887100000 6.229353500000 3.552762600000 2.067649800000 1.224517200000 0.735786900000 0.447200900000 0.274052400000 0.168782400000 0.104122300000
0.151069421100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.159835527400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.546947356500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.807761860600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1409.650148700000 580.399858600000 246.228738600000 107.439781200000 48.122386400000 22.077378200000 10.350294500000 4.946259200000 2.403072000000 1.183610600000 0.589301300000 0.295695500000 0.149070600000 0.075269900000
0.159369644900 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.375808989200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.912890420500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
350.765090000000 144.057568000000 61.338769000000 27.005945300000 12.257912100000 5.717122700000 2.730129800000 1.329703300000 0.657820100000 0.329131000000 0.165806900000 0.083720500000
0.277104038500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.960839920000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
100.290276300000 35.476343100000 15.087961200000 6.778247500000 3.229639700000 1.518009600000 0.665726500000 0.368053500000 0.185122400000 0.095352300000
0.275723597100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.961236962500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
36.770795100000 15.236872700000 6.653402300000 3.032166800000 1.426341900000 0.684171900000 0.330344900000
0.075554041900 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.321254158100 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.698247634000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.635246089500 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
6.648509438800 2.286003977400 0.786012900000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.898527801700
1.000000000000
Cr: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
22068.328423999999 10310.889588000000 5874.199688400000 3056.731646000000 1578.491938000000 809.386169900000 438.356873400000 220.588604000000 115.782675500000 50.588627200000 26.050163900000 13.212096400000 7.056519100000 3.243828700000 1.662571100000 0.734115600000 0.373696300000 0.192487500000 0.083750600000
1.231118600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.180354500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
3.099674800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
3.385708900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
8.941461700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
12.219562800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
15.061218600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
9.902347000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-2.566408200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
2.038676200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
15.666725700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
5.671588700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -4.132425700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 2.513486500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 2.930308200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.481252400000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.039890200000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.094859000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.020939300000
19.175903100000 4.705244300000 1.292572100000 0.382520800000 0.116195400000
-0.016282500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.005813400000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.032803200000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 -0.008550500000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.010489800000
31.275949800000 7.152891400000 1.813611500000 0.491905200000 0.136594200000
-0.000840600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024265800000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.043456700000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 -0.003406100000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003610900000
2.867916000000 0.585105200000 0.133920200000
-0.019504700000 0.000000000000
0.011572400000 0.000000000000
0.000000000000 0.001433600000
12.414273900000 4.444895300000 1.642719800000
0.019361900000 0.000000000000 0.000000000000
0.000000000000 0.031283600000 0.000000000000
0.000000000000 0.000000000000 0.014578800000
Cr:LANL2DZ-ECP-10
LANL2DZ ECP
*
NCORE = 10 LMAX =2
d-ul
-10.000000000000 1 329.272053900000
-57.940939800000 2 59.548759700000
-10.262328500000 2 14.826596600000
s-ul
3.000000000000 0 100.026065300000
25.253459900000 1 67.846812400000
210.647236600000 2 34.677100600000
235.281958700000 2 7.675700500000
-152.534346100000 2 7.207742700000
p-ul
5.000000000000 0 47.972332100000
5.639026600000 1 59.622487300000
164.836219800000 2 26.043260000000
106.016801800000 2 6.558269200000
-69.858546800000 2 6.126823600000
*
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