F:cc-pVDZ Dunning's correlation consistent basis set 3 0 1 2 3 2 1 9 4 1 14710.000000000000 2207.000000000000 502.800000000000 142.600000000000 46.470000000000 16.700000000000 6.356000000000 1.316000000000 0.389700000000 0.000721000000 -0.000165000000 0.000000000000 0.005553000000 -0.001308000000 0.000000000000 0.028267000000 -0.006495000000 0.000000000000 0.106444000000 -0.026691000000 0.000000000000 0.286814000000 -0.073690000000 0.000000000000 0.448641000000 -0.170776000000 0.000000000000 0.264761000000 -0.112327000000 0.000000000000 0.015333000000 0.562814000000 0.000000000000 -0.002332000000 0.568778000000 1.000000000000 22.670000000000 4.977000000000 1.347000000000 0.347100000000 0.044878000000 0.000000000000 0.235718000000 0.000000000000 0.508521000000 0.000000000000 0.458120000000 1.000000000000 1.640000000000 1.000000000000 F:cc-pVTZ Dunning's correlation consistent basis set 4 0 1 2 3 4 3 2 1 10 5 2 1 19500.000000000000 2923.000000000000 664.500000000000 187.500000000000 60.620000000000 21.420000000000 7.950000000000 2.257000000000 0.881500000000 0.304100000000 0.000507000000 -0.000117000000 0.000000000000 0.000000000000 0.003923000000 -0.000912000000 0.000000000000 0.000000000000 0.020200000000 -0.004717000000 0.000000000000 0.000000000000 0.079010000000 -0.019086000000 0.000000000000 0.000000000000 0.230439000000 -0.059655000000 0.000000000000 0.000000000000 0.432872000000 -0.140010000000 0.000000000000 0.000000000000 0.349964000000 -0.176782000000 0.000000000000 0.000000000000 0.043233000000 0.171625000000 1.000000000000 0.000000000000 -0.007892000000 0.605043000000 0.000000000000 0.000000000000 0.002384000000 0.369512000000 0.000000000000 1.000000000000 43.880000000000 9.926000000000 2.930000000000 0.913200000000 0.267200000000 0.016665000000 0.000000000000 0.000000000000 0.104472000000 0.000000000000 0.000000000000 0.317260000000 0.000000000000 0.000000000000 0.487343000000 1.000000000000 0.000000000000 0.334604000000 0.000000000000 1.000000000000 3.107000000000 0.855000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 1.917000000000 1.000000000000 F:cc-pVQZ Dunning's correlation consistent basis set 5 0 1 2 3 4 5 4 3 2 1 12 6 3 2 1 74530.000000000000 11170.000000000000 2543.000000000000 721.000000000000 235.900000000000 85.600000000000 33.550000000000 13.930000000000 5.915000000000 1.843000000000 0.712400000000 0.263700000000 0.000095000000 -0.000022000000 0.000000000000 0.000000000000 0.000000000000 0.000738000000 -0.000172000000 0.000000000000 0.000000000000 0.000000000000 0.003858000000 -0.000891000000 0.000000000000 0.000000000000 0.000000000000 0.015926000000 -0.003748000000 0.000000000000 0.000000000000 0.000000000000 0.054289000000 -0.012862000000 0.000000000000 0.000000000000 0.000000000000 0.149513000000 -0.038061000000 0.000000000000 0.000000000000 0.000000000000 0.308252000000 -0.086239000000 0.000000000000 0.000000000000 0.000000000000 0.394853000000 -0.155865000000 0.000000000000 0.000000000000 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0.000000000000 0.000000000000 1.000000000000 2.376000000000 1.000000000000 F:cc-pV5Z Dunning's correlation consistent basis set 6 0 1 2 3 4 5 6 5 4 3 2 1 14 8 4 3 2 1 211400.000000000000 31660.000000000000 7202.000000000000 2040.000000000000 666.400000000000 242.000000000000 95.530000000000 40.230000000000 17.720000000000 8.005000000000 3.538000000000 1.458000000000 0.588700000000 0.232400000000 0.000026000000 -0.000006000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000201000000 -0.000047000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001056000000 -0.000244000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.004432000000 -0.001031000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.015766000000 -0.003683000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.048112000000 -0.011513000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.123232000000 -0.030663000000 0.000000000000 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1.000000000000 F:cc-pV6Z Dunning's correlation consistent basis set 7 0 1 2 3 4 5 6 7 6 5 4 3 2 1 16 10 5 4 3 2 1 723500.000000000000 108400.000000000000 24680.000000000000 6990.000000000000 2282.000000000000 824.600000000000 321.800000000000 133.500000000000 58.110000000000 26.280000000000 12.240000000000 5.747000000000 2.365000000000 1.071000000000 0.468100000000 0.199400000000 0.000005600000 -0.000001300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000043200000 -0.000010000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000227000000 -0.000052600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000958000000 -0.000221700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003470200000 -0.000806900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.011185300000 -0.002608200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.032328800000 -0.007674000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.082795500000 -0.020193500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.179880200000 -0.047187500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.305578300000 -0.091580100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.340268400000 -0.140485600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.176682400000 -0.103670900000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.020854800000 0.152820500000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.000753200000 0.446145800000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.001074400000 0.438118100000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 -0.000079500000 0.124470500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 660.000000000000 156.400000000000 50.640000000000 19.080000000000 7.872000000000 3.449000000000 1.545000000000 0.686400000000 0.298600000000 0.124500000000 0.000177200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001526900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.008072100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.030740200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.090119100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.195287900000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.301076900000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.333220700000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.241146800000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.069672200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 10.573000000000 4.613000000000 2.013000000000 0.878000000000 0.383000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 7.563000000000 3.330000000000 1.466000000000 0.645000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 6.735000000000 2.783000000000 1.150000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 5.088000000000 1.937000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 3.581000000000 1.000000000000 F:cc-pCVDZ Dunning's correlation consistent basis set 3 0 1 2 4 3 1 10 5 1 14710.000000000000 2207.000000000000 502.800000000000 142.600000000000 46.470000000000 16.700000000000 6.356000000000 1.316000000000 0.389700000000 10.426000000000 0.000721000000 -0.000165000000 0.000000000000 0.000000000000 0.005553000000 -0.001308000000 0.000000000000 0.000000000000 0.028267000000 -0.006495000000 0.000000000000 0.000000000000 0.106444000000 -0.026691000000 0.000000000000 0.000000000000 0.286814000000 -0.073690000000 0.000000000000 0.000000000000 0.448641000000 -0.170776000000 0.000000000000 0.000000000000 0.264761000000 -0.112327000000 0.000000000000 0.000000000000 0.015333000000 0.562814000000 0.000000000000 0.000000000000 -0.002332000000 0.568778000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 22.670000000000 4.977000000000 1.347000000000 0.347100000000 32.830000000000 0.044878000000 0.000000000000 0.000000000000 0.235718000000 0.000000000000 0.000000000000 0.508521000000 0.000000000000 0.000000000000 0.458120000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.640000000000 1.000000000000 F:cc-pCVTZ Dunning's correlation consistent basis set 4 0 1 2 3 6 5 3 1 12 7 3 1 19500.000000000000 2923.000000000000 664.500000000000 187.500000000000 60.620000000000 21.420000000000 7.950000000000 2.257000000000 0.881500000000 0.304100000000 9.812000000000 25.943000000000 0.000507000000 -0.000117000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003923000000 -0.000912000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.020200000000 -0.004717000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.079010000000 -0.019086000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.230439000000 -0.059655000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.432872000000 -0.140010000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.349964000000 -0.176782000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.043233000000 0.171625000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.007892000000 0.605043000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002384000000 0.369512000000 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 43.880000000000 9.926000000000 2.930000000000 0.913200000000 0.267200000000 18.756000000000 71.348000000000 0.016665000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.104472000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.317260000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.487343000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.334604000000 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 3.107000000000 0.855000000000 19.108000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.917000000000 1.000000000000 F:cc-pCVQZ Dunning's correlation consistent basis set 5 0 1 2 3 4 8 7 5 3 1 15 9 5 3 1 74530.000000000000 11170.000000000000 2543.000000000000 721.000000000000 235.900000000000 85.600000000000 33.550000000000 13.930000000000 5.915000000000 1.843000000000 0.712400000000 0.263700000000 16.319000000000 43.784000000000 117.472000000000 0.000095000000 -0.000022000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000738000000 -0.000172000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003858000000 -0.000891000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.015926000000 -0.003748000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.054289000000 -0.012862000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.149513000000 -0.038061000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.308252000000 -0.086239000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.394853000000 -0.155865000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.211031000000 -0.110914000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.017151000000 0.298761000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.002015000000 0.585013000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000869000000 0.271159000000 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 80.390000000000 18.630000000000 5.694000000000 1.953000000000 0.670200000000 0.216600000000 18.119000000000 53.505000000000 158.001000000000 0.006347000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.044204000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.168514000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.361563000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.442178000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.243435000000 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 5.014000000000 1.725000000000 0.586000000000 18.943000000000 72.798000000000 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 3.562000000000 1.148000000000 25.161000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.376000000000 1.000000000000 F:cc-pCV5Z Dunning's correlation consistent basis set 6 0 1 2 3 4 5 10 9 7 5 3 1 18 12 7 5 3 1 211400.000000000000 31660.000000000000 7202.000000000000 2040.000000000000 666.400000000000 242.000000000000 95.530000000000 40.230000000000 17.720000000000 8.005000000000 3.538000000000 1.458000000000 0.588700000000 0.232400000000 19.876000000000 44.880000000000 101.339000000000 228.824000000000 0.000026000000 -0.000006000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000201000000 -0.000047000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001056000000 -0.000244000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.004432000000 -0.001031000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.015766000000 -0.003683000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.048112000000 -0.011513000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.123232000000 -0.030663000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.251519000000 -0.069572000000 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0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 5.398000000000 2.078000000000 0.800000000000 22.337000000000 82.290000000000 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 4.338000000000 1.513000000000 49.727000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.995000000000 1.000000000000 F:cc-pCV6Z Dunning's correlation 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142.600000000000 46.470000000000 16.700000000000 6.356000000000 1.316000000000 0.389700000000 0.098630000000 0.000721000000 -0.000165000000 0.000000000000 0.000000000000 0.005553000000 -0.001308000000 0.000000000000 0.000000000000 0.028267000000 -0.006495000000 0.000000000000 0.000000000000 0.106444000000 -0.026691000000 0.000000000000 0.000000000000 0.286814000000 -0.073690000000 0.000000000000 0.000000000000 0.448641000000 -0.170776000000 0.000000000000 0.000000000000 0.264761000000 -0.112327000000 0.000000000000 0.000000000000 0.015333000000 0.562814000000 0.000000000000 0.000000000000 -0.002332000000 0.568778000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 22.670000000000 4.977000000000 1.347000000000 0.347100000000 0.085020000000 0.044878000000 0.000000000000 0.000000000000 0.235718000000 0.000000000000 0.000000000000 0.508521000000 0.000000000000 0.000000000000 0.458120000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.640000000000 0.464000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 F:aug-cc-pVTZ Dunning's correlation consistent basis set 4 0 1 2 3 5 4 3 2 11 6 3 2 19500.000000000000 2923.000000000000 664.500000000000 187.500000000000 60.620000000000 21.420000000000 7.950000000000 2.257000000000 0.881500000000 0.304100000000 0.091580000000 0.000507000000 -0.000117000000 0.000000000000 0.000000000000 0.000000000000 0.003923000000 -0.000912000000 0.000000000000 0.000000000000 0.000000000000 0.020200000000 -0.004717000000 0.000000000000 0.000000000000 0.000000000000 0.079010000000 -0.019086000000 0.000000000000 0.000000000000 0.000000000000 0.230439000000 -0.059655000000 0.000000000000 0.000000000000 0.000000000000 0.432872000000 -0.140010000000 0.000000000000 0.000000000000 0.000000000000 0.349964000000 -0.176782000000 0.000000000000 0.000000000000 0.000000000000 0.043233000000 0.171625000000 1.000000000000 0.000000000000 0.000000000000 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set 5 0 1 2 3 4 6 5 4 3 2 13 7 4 3 2 74530.000000000000 11170.000000000000 2543.000000000000 721.000000000000 235.900000000000 85.600000000000 33.550000000000 13.930000000000 5.915000000000 1.843000000000 0.712400000000 0.263700000000 0.085940000000 0.000095000000 -0.000022000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000738000000 -0.000172000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003858000000 -0.000891000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.015926000000 -0.003748000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.054289000000 -0.012862000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.149513000000 -0.038061000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.308252000000 -0.086239000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.394853000000 -0.155865000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.211031000000 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5.398000000000 2.078000000000 0.800000000000 0.331000000000 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 4.338000000000 1.513000000000 0.663000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.995000000000 1.326000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 F:aug-cc-pV6Z Dunning's correlation consistent basis set 7 0 1 2 3 4 5 6 8 7 6 5 4 3 2 17 11 6 5 4 3 2 723500.000000000000 108400.000000000000 24680.000000000000 6990.000000000000 2282.000000000000 824.600000000000 321.800000000000 133.500000000000 58.110000000000 26.280000000000 12.240000000000 5.747000000000 2.365000000000 1.071000000000 0.468100000000 0.199400000000 0.073150000000 0.000005600000 -0.000001300000 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7.563000000000 3.330000000000 1.466000000000 0.645000000000 0.272000000000 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 6.735000000000 2.783000000000 1.150000000000 0.520000000000 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 5.088000000000 1.937000000000 0.985000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 3.581000000000 1.739000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 F:aug-cc-pCVDZ Dunning's correlation consistent basis set 3 0 1 2 5 4 2 11 6 2 14710.000000000000 2207.000000000000 502.800000000000 142.600000000000 46.470000000000 16.700000000000 6.356000000000 1.316000000000 0.389700000000 10.426000000000 0.098630000000 0.000721000000 -0.000165000000 0.000000000000 0.000000000000 0.000000000000 0.005553000000 -0.001308000000 0.000000000000 0.000000000000 0.000000000000 0.028267000000 -0.006495000000 0.000000000000 0.000000000000 0.000000000000 0.106444000000 -0.026691000000 0.000000000000 0.000000000000 0.000000000000 0.286814000000 -0.073690000000 0.000000000000 0.000000000000 0.000000000000 0.448641000000 -0.170776000000 0.000000000000 0.000000000000 0.000000000000 0.264761000000 -0.112327000000 0.000000000000 0.000000000000 0.000000000000 0.015333000000 0.562814000000 0.000000000000 0.000000000000 0.000000000000 -0.002332000000 0.568778000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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0.000000000000 0.000000000000 0.000000000000 0.230439000000 -0.059655000000 0.000000000000 0.000000000000 0.000000000000 0.432872000000 -0.140010000000 0.000000000000 0.000000000000 0.000000000000 0.349964000000 -0.176782000000 0.000000000000 0.000000000000 0.000000000000 -0.007892000000 0.605043000000 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 43.880000000000 9.926000000000 2.930000000000 0.913200000000 0.267200000000 0.073610000000 0.016665000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.104472000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.918300000000 0.584600000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 F:cc-pVTZ-F12 Peterson's F12 basis set 4 0 1 2 3 6 6 3 2 13 7 3 2 74530.000000000000 11170.000000000000 2543.000000000000 721.000000000000 235.900000000000 85.600000000000 33.550000000000 13.930000000000 5.915000000000 1.843000000000 0.712400000000 0.263700000000 0.085940000000 0.000095000000 -0.000022000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000738000000 -0.000172000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003858000000 -0.000891000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.015926000000 -0.003748000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.054289000000 -0.012862000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.149513000000 -0.038061000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.308252000000 -0.086239000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.394853000000 -0.155865000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.211031000000 -0.110914000000 0.000000000000 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 80.390000000000 18.630000000000 5.694000000000 1.953000000000 0.670200000000 0.216600000000 0.065680000000 0.006347000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.044204000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 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0.080600000000 0.000026000000 -0.000006000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000201000000 -0.000047000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001056000000 -0.000244000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.004432000000 -0.001031000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.015766000000 -0.003683000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.048112000000 -0.011513000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.123232000000 -0.030663000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.251519000000 -0.069572000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.364525000000 -0.123992000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.279766000000 -0.150214000000 0.000000000000 0.000000000000 0.000000000000 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 241.900000000000 57.170000000000 18.130000000000 6.624000000000 2.622000000000 1.057000000000 0.417600000000 0.157400000000 0.055000000000 0.001002000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.008054000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.038048000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 9.277800000000 3.248500000000 1.137500000000 0.398300000000 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 4.596900000000 1.611200000000 0.564700000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.114900000000 0.764000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 F:STO-3G Pople's Gaussian basis set 2 0 1 2 1 6 3 166.679134000000 30.360812300000 8.216820700000 6.464803200000 1.502281200000 0.488588500000 0.154329000000 0.000000000000 0.535328100000 0.000000000000 0.444634500000 0.000000000000 0.000000000000 -0.099967200000 0.000000000000 0.399512800000 0.000000000000 0.700115500000 6.464803200000 1.502281200000 0.488588500000 0.155916300000 0.607683700000 0.391957400000 F:3-21G Pople's Gaussian basis set 2 0 1 3 2 6 3 413.801000000000 62.244600000000 13.434000000000 9.777590000000 2.086170000000 0.482383000000 0.058548300000 0.000000000000 0.000000000000 0.349308000000 0.000000000000 0.000000000000 0.709632000000 0.000000000000 0.000000000000 0.000000000000 -0.407327000000 0.000000000000 0.000000000000 1.223140000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 9.777590000000 2.086170000000 0.482383000000 0.246680000000 0.000000000000 0.852321000000 0.000000000000 0.000000000000 1.000000000000 F:6-31G Pople's Gaussian basis set 2 0 1 3 2 10 4 7001.713090000000 1051.366090000000 239.285690000000 67.397445300000 21.519957300000 7.403101300000 20.847952800000 4.808308300000 1.344069900000 0.358151400000 0.001819600000 0.000000000000 0.000000000000 0.013916100000 0.000000000000 0.000000000000 0.068405300000 0.000000000000 0.000000000000 0.233185800000 0.000000000000 0.000000000000 0.471267400000 0.000000000000 0.000000000000 0.356618500000 0.000000000000 0.000000000000 0.000000000000 -0.108507000000 0.000000000000 0.000000000000 -0.146451700000 0.000000000000 0.000000000000 1.128688600000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 20.847952800000 4.808308300000 1.344069900000 0.358151400000 0.071628700000 0.000000000000 0.345912100000 0.000000000000 0.722470000000 0.000000000000 0.000000000000 1.000000000000 F:6-311G Pople's Gaussian basis set 2 0 1 4 3 11 5 11427.100000000000 1722.350000000000 395.746000000000 115.139000000000 33.602600000000 4.919010000000 55.444100000000 12.632300000000 3.717560000000 1.165450000000 0.321892000000 0.001800900000 0.000000000000 0.000000000000 0.000000000000 0.013741900000 0.000000000000 0.000000000000 0.000000000000 0.068133400000 0.000000000000 0.000000000000 0.000000000000 0.233325000000 0.000000000000 0.000000000000 0.000000000000 0.589086000000 0.000000000000 0.000000000000 0.000000000000 0.299505000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.114536000000 0.000000000000 0.000000000000 0.000000000000 0.920512000000 0.000000000000 0.000000000000 0.000000000000 -0.003378000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 55.444100000000 12.632300000000 3.717560000000 1.165450000000 0.321892000000 0.035460900000 0.000000000000 0.000000000000 0.237451000000 0.000000000000 0.000000000000 0.820458000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 F:6-31G* Pople's Gaussian basis set 3 0 1 2 3 2 1 10 4 1 7001.713090000000 1051.366090000000 239.285690000000 67.397445300000 21.519957300000 7.403101300000 20.847952800000 4.808308300000 1.344069900000 0.358151400000 0.001819600000 0.000000000000 0.000000000000 0.013916100000 0.000000000000 0.000000000000 0.068405300000 0.000000000000 0.000000000000 0.233185800000 0.000000000000 0.000000000000 0.471267400000 0.000000000000 0.000000000000 0.356618500000 0.000000000000 0.000000000000 0.000000000000 -0.108507000000 0.000000000000 0.000000000000 -0.146451700000 0.000000000000 0.000000000000 1.128688600000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 20.847952800000 4.808308300000 1.344069900000 0.358151400000 0.071628700000 0.000000000000 0.345912100000 0.000000000000 0.722470000000 0.000000000000 0.000000000000 1.000000000000 0.800000000000 1.000000000000 F:6-311G* Pople's Gaussian basis set 3 0 1 2 4 3 1 11 5 1 11427.100000000000 1722.350000000000 395.746000000000 115.139000000000 33.602600000000 4.919010000000 55.444100000000 12.632300000000 3.717560000000 1.165450000000 0.321892000000 0.001800900000 0.000000000000 0.000000000000 0.000000000000 0.013741900000 0.000000000000 0.000000000000 0.000000000000 0.068133400000 0.000000000000 0.000000000000 0.000000000000 0.233325000000 0.000000000000 0.000000000000 0.000000000000 0.589086000000 0.000000000000 0.000000000000 0.000000000000 0.299505000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.114536000000 0.000000000000 0.000000000000 0.000000000000 0.920512000000 0.000000000000 0.000000000000 0.000000000000 -0.003378000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 55.444100000000 12.632300000000 3.717560000000 1.165450000000 0.321892000000 0.035460900000 0.000000000000 0.000000000000 0.237451000000 0.000000000000 0.000000000000 0.820458000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.750000000000 1.000000000000 F:6-31+G* Pople's Gaussian basis set 3 0 1 2 4 3 1 11 5 1 7001.713090000000 1051.366090000000 239.285690000000 67.397445300000 21.519957300000 7.403101300000 20.847952800000 4.808308340000 1.344069860000 0.358151393000 0.107600000000 0.001819600000 0.000000000000 0.000000000000 0.000000000000 0.013916000000 0.000000000000 0.000000000000 0.000000000000 0.068405300000 0.000000000000 0.000000000000 0.000000000000 0.233185700000 0.000000000000 0.000000000000 0.000000000000 0.471267400000 0.000000000000 0.000000000000 0.000000000000 0.356618500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.108506900000 0.000000000000 0.000000000000 0.000000000000 -0.146451600000 0.000000000000 0.000000000000 0.000000000000 1.128688500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 20.847952800000 4.808308340000 1.344069860000 0.358151393000 0.107600000000 0.071628700000 0.000000000000 0.000000000000 0.345912100000 0.000000000000 0.000000000000 0.722469900000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.800000000000 1.000000000000 F:6-311+G* Pople's Gaussian basis set 3 0 1 2 5 4 1 12 6 1 11427.100000000000 1722.350000000000 395.746000000000 115.139000000000 33.602600000000 4.919010000000 55.444100000000 12.632300000000 3.717560000000 1.165450000000 0.321892000000 0.107600000000 0.001800900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.013741900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.068133400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.233325000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.589086000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.299505000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.114536000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.920512000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.003378000000 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 55.444100000000 12.632300000000 3.717560000000 1.165450000000 0.321892000000 0.107600000000 0.035460900000 0.000000000000 0.000000000000 0.000000000000 0.237451000000 0.000000000000 0.000000000000 0.000000000000 0.820458000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.750000000000 1.000000000000 F:def2-SV(P) Weigend and Ahlrichs' Gaussian basis set 3 0 1 2 3 2 1 7 4 1 2894.832599000000 435.419391200000 98.843328866000 27.485198001000 8.540549817100 1.065457803800 0.332473467480 -0.005340825551 0.000000000000 0.000000000000 -0.039904258866 0.000000000000 0.000000000000 -0.179127680380 0.000000000000 0.000000000000 -0.467580908250 0.000000000000 0.000000000000 -0.446531310200 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 22.696633924000 4.987233925700 1.349161395400 0.348298819770 -0.045212874436 0.000000000000 -0.237543170670 0.000000000000 -0.512873535870 0.000000000000 0.000000000000 1.000000000000 1.400000000000 1.000000000000 F:def2-SVP Weigend and Ahlrichs' Gaussian basis set 3 0 1 2 3 2 1 7 4 1 2894.832599000000 435.419391200000 98.843328866000 27.485198001000 8.540549817100 1.065457803800 0.332473467480 -0.005340825551 0.000000000000 0.000000000000 -0.039904258866 0.000000000000 0.000000000000 -0.179127680380 0.000000000000 0.000000000000 -0.467580908250 0.000000000000 0.000000000000 -0.446531310200 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 22.696633924000 4.987233925700 1.349161395400 0.348298819770 -0.045212874436 0.000000000000 -0.237543170670 0.000000000000 -0.512873535870 0.000000000000 0.000000000000 1.000000000000 1.400000000000 1.000000000000 F:def2-TZVP Weigend and Ahlrichs' Gaussian basis set 4 0 1 2 3 5 3 2 1 11 6 2 1 35479.100441000002 5318.472898300000 1210.481097500000 342.855181400000 112.019431810000 40.714740248000 16.039678111000 6.503818674000 1.544047750900 0.612234528620 0.240279796980 0.000215450149 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001670068653 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.008673321148 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.035049933175 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.111653201330 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.259885066470 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.394229668800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.249982385510 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 80.233900483000 18.594010743000 5.686790265300 1.951100629400 0.669702112980 0.216513004100 0.006368599913 0.000000000000 0.000000000000 0.044303143530 0.000000000000 0.000000000000 0.168672487080 0.000000000000 0.000000000000 0.361663462550 0.000000000000 0.000000000000 0.000000000000 0.442029014910 0.000000000000 0.000000000000 0.000000000000 0.243198757300 3.107000000000 0.855000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 1.917000000000 1.000000000000 F:def2-TZVPP Weigend and Ahlrichs' Gaussian basis set 4 0 1 2 3 5 3 2 1 11 6 2 1 35479.100441000002 5318.472898300000 1210.481097500000 342.855181400000 112.019431810000 40.714740248000 16.039678111000 6.503818674000 1.544047750900 0.612234528620 0.240279796980 0.000215450149 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001670068653 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.008673321148 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.035049933175 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.111653201330 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.259885066470 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.394229668800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.249982385510 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 80.233900483000 18.594010743000 5.686790265300 1.951100629400 0.669702112980 0.216513004100 0.006368599913 0.000000000000 0.000000000000 0.044303143530 0.000000000000 0.000000000000 0.168672487080 0.000000000000 0.000000000000 0.361663462550 0.000000000000 0.000000000000 0.000000000000 0.442029014910 0.000000000000 0.000000000000 0.000000000000 0.243198757300 3.107000000000 0.855000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 1.917000000000 1.000000000000 F:def2-QZVP Weigend and Ahlrichs' Gaussian basis set 5 0 1 2 3 4 7 4 3 2 1 15 8 3 2 1 132535.973449999990 19758.112588000000 4485.199694700000 1273.815102000000 418.938312360000 152.557219850000 59.821524823000 24.819076932000 100.744466730000 30.103728290000 10.814283272000 4.817288677000 1.655933421300 0.648935195820 0.247781045450 0.000047387483 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000370701209 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001945078471 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.008057329199 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.027992880781 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.082735120175 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.198541690120 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.348606322330 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.105050688160 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.940684724340 0.000000000000 0.000000000000 0.000000000000 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 240.966541140000 57.020699781000 18.126952120000 6.645740462100 2.637572289200 1.063821720000 0.419325627500 0.157475882990 0.003038993345 0.000000000000 0.000000000000 0.000000000000 0.024357738582 0.000000000000 0.000000000000 0.000000000000 0.114429257680 0.000000000000 0.000000000000 0.000000000000 0.370646598530 0.000000000000 0.000000000000 0.000000000000 0.797915517660 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 5.014000000000 1.725000000000 0.586000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 3.562000000000 1.148000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 2.376000000000 1.000000000000 F:def2-QZVPP Weigend and Ahlrichs' Gaussian basis set 5 0 1 2 3 4 7 4 3 2 1 15 8 3 2 1 132535.973449999990 19758.112588000000 4485.199694700000 1273.815102000000 418.938312360000 152.557219850000 59.821524823000 24.819076932000 100.744466730000 30.103728290000 10.814283272000 4.817288677000 1.655933421300 0.648935195820 0.247781045450 0.000047387483 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000370701209 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001945078471 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.008057329199 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.027992880781 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.082735120175 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.198541690120 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.348606322330 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.105050688160 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.940684724340 0.000000000000 0.000000000000 0.000000000000 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 240.966541140000 57.020699781000 18.126952120000 6.645740462100 2.637572289200 1.063821720000 0.419325627500 0.157475882990 0.003038993345 0.000000000000 0.000000000000 0.000000000000 0.024357738582 0.000000000000 0.000000000000 0.000000000000 0.114429257680 0.000000000000 0.000000000000 0.000000000000 0.370646598530 0.000000000000 0.000000000000 0.000000000000 0.797915517660 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 5.014000000000 1.725000000000 0.586000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 3.562000000000 1.148000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 2.376000000000 1.000000000000 F:def2-SVPD Weigend and Ahlrichs' Gaussian basis set 3 0 1 2 4 3 2 8 5 2 2894.832599000000 435.419391200000 98.843328866000 27.485198001000 8.540549817100 1.065457803800 0.332473467480 0.098097752264 -0.005340825551 0.000000000000 0.000000000000 0.000000000000 -0.039904258866 0.000000000000 0.000000000000 0.000000000000 -0.179127680380 0.000000000000 0.000000000000 0.000000000000 -0.467580908250 0.000000000000 0.000000000000 0.000000000000 -0.446531310200 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 22.696633924000 4.987233925700 1.349161395400 0.348298819770 0.083372148304 -0.045212874436 0.000000000000 0.000000000000 -0.237543170670 0.000000000000 0.000000000000 -0.512873535870 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.400000000000 0.223013619480 1.000000000000 0.000000000000 0.000000000000 1.000000000000 F:def2-TZVPD Weigend and Ahlrichs' Gaussian basis set 4 0 1 2 3 6 4 3 1 12 7 3 1 35479.100441000002 5318.472898300000 1210.481097500000 342.855181400000 112.019431810000 40.714740248000 16.039678111000 6.503818674000 1.544047750900 0.612234528620 0.240279796980 0.090918446478 0.000215450149 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001670068653 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.008673321148 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.035049933175 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.111653201330 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.259885066470 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.394229668800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.249982385510 0.000000000000 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 80.233900483000 18.594010743000 5.686790265300 1.951100629400 0.669702112980 0.216513004100 0.059613282472 0.006368599913 0.000000000000 0.000000000000 0.000000000000 0.044303143530 0.000000000000 0.000000000000 0.000000000000 0.168672487080 0.000000000000 0.000000000000 0.000000000000 0.361663462550 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.442029014910 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.243198757300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 3.107000000000 0.855000000000 0.186083881110 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.917000000000 1.000000000000 F:def2-TZVPPD Weigend and Ahlrichs' Gaussian basis set 4 0 1 2 3 6 4 3 1 12 7 3 1 35479.100441000002 5318.472898300000 1210.481097500000 342.855181400000 112.019431810000 40.714740248000 16.039678111000 6.503818674000 1.544047750900 0.612234528620 0.240279796980 0.090918446478 0.000215450149 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001670068653 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.008673321148 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.035049933175 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.111653201330 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.259885066470 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.394229668800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.249982385510 0.000000000000 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 80.233900483000 18.594010743000 5.686790265300 1.951100629400 0.669702112980 0.216513004100 0.059613282472 0.006368599913 0.000000000000 0.000000000000 0.000000000000 0.044303143530 0.000000000000 0.000000000000 0.000000000000 0.168672487080 0.000000000000 0.000000000000 0.000000000000 0.361663462550 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.442029014910 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.243198757300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 3.107000000000 0.855000000000 0.186083881110 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.917000000000 1.000000000000 F:def2-QZVPD Weigend and Ahlrichs' Gaussian basis set 5 0 1 2 3 4 8 5 4 2 1 16 9 4 2 1 132535.973449999990 19758.112588000000 4485.199694700000 1273.815102000000 418.938312360000 152.557219850000 59.821524823000 24.819076932000 100.744466730000 30.103728290000 10.814283272000 4.817288677000 1.655933421300 0.648935195820 0.247781045450 0.087626236800 0.000047387483 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000370701209 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001945078471 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.008057329199 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.027992880781 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.082735120175 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.198541690120 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.348606322330 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.105050688160 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.940684724340 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 240.966541140000 57.020699781000 18.126952120000 6.645740462100 2.637572289200 1.063821720000 0.419325627500 0.157475882990 0.046772400332 0.003038993345 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.024357738582 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.114429257680 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.370646598530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.797915517660 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 5.014000000000 1.725000000000 0.586000000000 0.159679862450 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 3.562000000000 1.148000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 2.376000000000 1.000000000000 F:def2-QZVPPD Weigend and Ahlrichs' Gaussian basis set 5 0 1 2 3 4 8 5 4 2 1 16 9 4 2 1 132535.973449999990 19758.112588000000 4485.199694700000 1273.815102000000 418.938312360000 152.557219850000 59.821524823000 24.819076932000 100.744466730000 30.103728290000 10.814283272000 4.817288677000 1.655933421300 0.648935195820 0.247781045450 0.087626236800 0.000047387483 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000370701209 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001945078471 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.008057329199 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.027992880781 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.082735120175 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.198541690120 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.348606322330 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.105050688160 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.940684724340 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 240.966541140000 57.020699781000 18.126952120000 6.645740462100 2.637572289200 1.063821720000 0.419325627500 0.157475882990 0.046772400332 0.003038993345 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.024357738582 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.114429257680 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.370646598530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.797915517660 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 5.014000000000 1.725000000000 0.586000000000 0.159679862450 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 3.562000000000 1.148000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 2.376000000000 1.000000000000 F:LANL2DZ Hay and Wadt's LANL2DZ Gaussian basis set 2 0 1 3 2 10 5 9995.000000000000 1506.000000000000 350.300000000000 104.100000000000 34.840000000000 12.220000000000 4.369000000000 12.220000000000 1.208000000000 0.363400000000 0.001160000000 0.000000000000 0.000000000000 0.008870000000 0.000000000000 0.000000000000 0.042380000000 0.000000000000 0.000000000000 0.142929000000 0.000000000000 0.000000000000 0.355372000000 0.000000000000 0.000000000000 0.462085000000 0.000000000000 0.000000000000 0.140848000000 0.000000000000 0.000000000000 0.000000000000 -0.148452000000 0.000000000000 0.000000000000 1.055270000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 44.360000000000 10.080000000000 2.996000000000 0.938300000000 0.273300000000 0.020876000000 0.000000000000 0.130107000000 0.000000000000 0.396166000000 0.000000000000 0.620404000000 0.000000000000 0.000000000000 1.000000000000 F:cc-pVDZ-RI Weigend's auxiliary basis set 4 0 1 2 3 7 5 4 2 7 5 4 2 130.337000000000 31.839300000000 11.017900000000 3.706770000000 1.736570000000 1.084240000000 0.536595000000 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 42.927100000000 12.631400000000 4.257910000000 1.912180000000 0.786730000000 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 19.925300000000 5.966640000000 2.446780000000 0.743695000000 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 5.754130000000 2.445790000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 F:cc-pVTZ-RI Weigend's auxiliary basis set 5 0 1 2 3 4 8 6 5 3 1 8 6 5 3 1 422.926164430000 94.574980931000 32.901242997000 11.543896457000 3.665445275800 1.762717017400 1.055048433500 0.452493178030 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 51.725836436000 13.925625287000 4.756681430000 2.636687236600 1.260978829200 0.648796228870 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 18.713621922000 6.421169731400 3.818509568300 1.523280486500 0.626987318260 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 6.194742872300 2.969812848200 1.439372598000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 3.115636799000 1.000000000000 F:cc-pVQZ-RI Weigend's auxiliary basis set 6 0 1 2 3 4 5 8 7 6 5 3 1 8 7 6 5 3 1 431.676958200000 93.461929760000 27.620303050000 6.356614380000 3.589292480000 1.903710310000 0.928360190000 0.388309330000 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 81.008225940000 23.473144240000 6.791106380000 4.382706260000 2.214521370000 1.040485270000 0.599155500000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 22.819797250000 7.297609200000 4.513549980000 2.405932040000 1.252671170000 0.492453610000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 13.812186020000 5.972404490000 4.034030230000 1.822572430000 1.019438460000 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 6.490418370000 3.357883360000 1.743606250000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 3.569493240000 1.000000000000 F:cc-pV5Z-RI Weigend's auxiliary basis set 7 0 1 2 3 4 5 6 10 8 7 6 4 3 1 10 8 7 6 4 3 1 645.424000000000 138.618000000000 38.729500000000 21.723600000000 7.480350000000 4.284400000000 2.601990000000 1.340780000000 0.603875000000 0.299915000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 118.066000000000 32.033700000000 13.592500000000 6.289910000000 3.490790000000 1.639320000000 0.880017000000 0.533003000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 27.767600000000 8.880760000000 5.495020000000 2.971120000000 1.819720000000 0.890528000000 0.367580000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 18.500300000000 8.608610000000 4.943880000000 2.814490000000 1.581520000000 0.809465000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 9.163700000000 4.936690000000 2.714870000000 1.319190000000 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 7.104650000000 4.172870000000 2.200100000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 4.223720000000 1.000000000000 F:cc-pV6Z-RI Weigend's auxiliary basis set 8 0 1 2 3 4 5 6 7 12 10 8 7 6 4 3 1 12 10 8 7 6 4 3 1 1079.960000000000 249.248000000000 90.545100000000 35.278800000000 18.125300000000 10.660400000000 6.056140000000 3.434060000000 1.806340000000 0.932526000000 0.480311000000 0.248996000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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3.474988900000 1.219481200000 0.702476944600 0.000000000000 0.000000000000 0.711706500100 2.045909100000 1.000000000000 F:def2-QZVPP-RI-J Weigend's Coulomb fitting basis set 5 0 1 2 3 4 6 4 3 1 1 12 5 4 2 1 3514.920154900000 1231.245881500000 454.136733600000 175.837625800000 71.208177500000 30.031688300000 13.125902300000 5.912686100000 2.728443100000 1.281399300000 0.608279300000 0.289789400000 0.180583500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.367608400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.270788100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 2.827416400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 4.358822600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 2.718099400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.080472600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.002337000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.123627400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.999904200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.311957900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.031229500000 49.374040900000 13.487495600000 3.966490000000 1.222662900000 0.383031700000 -0.034633200000 0.000000000000 0.000000000000 0.000000000000 -0.009606900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.076206700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.010332900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001885300000 29.971914000000 6.786091500000 1.813731300000 0.515784000000 -0.011331600000 0.000000000000 0.000000000000 -0.046763900000 0.000000000000 0.000000000000 0.000000000000 -0.016760400000 0.000000000000 0.000000000000 0.000000000000 -0.005077700000 2.830187700000 0.915596200000 1.000000000000 1.000000000000 1.609750000000 -0.000541100000 F:aug-cc-pVDZ-OPTRI Peterson's CABS RI basis set 5 0 1 2 3 4 4 5 4 3 1 4 5 4 3 1 14.451113000000 4.226853000000 1.236326000000 0.146513000000 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 4.837221000000 2.291208000000 1.085258000000 0.514046000000 0.126928000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 15.874547000000 7.278188000000 3.336915000000 1.095438000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 6.162877000000 1.980057000000 0.639079000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.274113000000 1.000000000000 F:aug-cc-pVTZ-OPTRI Peterson's CABS RI basis set 5 0 1 2 3 4 4 5 4 3 2 4 5 4 3 2 16.249086000000 3.381420000000 1.099688000000 0.137301000000 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 7.665794000000 3.019615000000 1.362993000000 0.404233000000 0.151717000000 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 16.217768000000 5.699914000000 2.022714000000 0.438195000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 9.812891000000 4.811831000000 1.080721000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 4.053499000000 1.357907000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 F:aug-cc-pVQZ-OPTRI Peterson's CABS RI basis set 6 0 1 2 3 4 5 4 5 4 3 2 1 4 5 4 3 2 1 4.177405000000 1.232046000000 0.413887000000 0.136770000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 9.834670000000 3.338077000000 1.002245000000 0.381891000000 0.139128000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 15.729866000000 3.320179000000 0.997436000000 0.318344000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 8.647045000000 1.712357000000 0.743064000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 5.657813000000 1.384231000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 2.682058000000 1.000000000000 F:aug-cc-pV5Z-OPTRI Peterson's CABS RI basis set 7 0 1 2 3 4 5 6 4 5 4 3 2 2 1 4 5 4 3 2 2 1 11.109538000000 2.258258000000 0.931595000000 0.347276000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 11.207813000000 3.925907000000 1.597283000000 0.625159000000 0.235390000000 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 28.699477000000 11.631116000000 4.533842000000 1.780039000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 13.298172000000 3.200602000000 1.290173000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 8.900924000000 2.633026000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 5.601843000000 0.885778000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 3.026480000000 1.000000000000 F:cc-pVDZ-F12-OPTRI Peterson's CABS RI basis set 5 0 1 2 3 4 4 4 4 3 1 4 4 4 3 1 14.720575000000 4.831321000000 0.879710000000 0.136443000000 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 5.168668000000 1.354802000000 0.502338000000 0.109486000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 8.813819000000 3.869716000000 0.867125000000 0.382771000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 6.798897000000 2.225527000000 0.764403000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.374534000000 1.000000000000 F:cc-pVTZ-F12-OPTRI Peterson's CABS RI basis set 5 0 1 2 3 4 4 4 4 3 2 4 4 4 3 2 4.232388000000 1.223183000000 0.423871000000 0.142407000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 8.799816000000 2.924099000000 1.114163000000 0.400619000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 13.313619000000 2.207353000000 0.928669000000 0.203247000000 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 5.615624000000 3.796145000000 1.262960000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 4.316638000000 1.455100000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 F:cc-pVQZ-F12-OPTRI Peterson's CABS RI basis set 6 0 1 2 3 4 5 4 4 4 3 2 1 4 4 4 3 2 1 5.305694000000 2.363743000000 1.074233000000 0.792578000000 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 12.019674000000 4.328731000000 1.662116000000 0.626147000000 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 49.108916000000 6.169800000000 2.153095000000 0.637473000000 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 12.161932000000 2.630493000000 0.977897000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 4.455450000000 1.414524000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 2.807676000000 1.000000000000 F:cc-pVTZ-RI-JK-dual Csoka's dual auxiliary basis 4 0 1 2 3 10 6 4 1 10 7 5 2 2707.994679497249 756.417027690439 440.380757353424 80.663774491394 72.405979006807 14.150278858332 8.023495416065 2.103937991095 1.019532594755 0.327203972789 1.000210851988 0.000000000100 0.000000000100 0.000000000100 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0.000000000100 0.000000000100 0.000000000100 0.000000000100 0.000000000100 0.000000000100 1.000596746357 0.000000000100 0.000000000100 0.000000000100 0.000000000100 0.000000000100 0.000000000100 22.951554322338 9.271138413260 3.244831416559 1.118931986024 0.457219963896 1.000138382503 0.000000000100 0.000000000100 0.000000000100 0.000000000100 1.000117341684 0.000000000100 0.000000000100 0.000000000100 0.000000000100 0.999710549169 0.000000000100 0.000000000100 0.000000000100 0.000000000100 0.998909705807 0.000000000100 0.000000000100 0.000000000100 0.000000000100 0.966207841936 1.060959179381 1.000085321310 0.000000000100 F:cc-pVQZ-RI-JK-dual Csoka's dual auxiliary basis 4 0 1 2 3 10 7 3 1 10 7 5 2 203.617130691833 581.901102117549 191.215610250248 256.889246678020 85.398964606118 19.498274772653 9.216599853150 1.540858554099 1.015604823863 0.467053729297 0.999738457235 0.000000000100 0.000000000100 0.000000000100 0.000000000100 0.000000000100 0.000000000100 0.000000000100 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