C:cc-pVDZ Dunning's correlation consistent basis set 3 0 1 2 3 2 1 9 4 1 6665.000000000000 1000.000000000000 228.000000000000 64.710000000000 21.060000000000 7.495000000000 2.797000000000 0.521500000000 0.159600000000 0.000692000000 -0.000146000000 0.000000000000 0.005329000000 -0.001154000000 0.000000000000 0.027077000000 -0.005725000000 0.000000000000 0.101718000000 -0.023312000000 0.000000000000 0.274740000000 -0.063955000000 0.000000000000 0.448564000000 -0.149981000000 0.000000000000 0.285074000000 -0.127262000000 0.000000000000 0.015204000000 0.544529000000 0.000000000000 -0.003191000000 0.580496000000 1.000000000000 9.439000000000 2.002000000000 0.545600000000 0.151700000000 0.038109000000 0.000000000000 0.209480000000 0.000000000000 0.508557000000 0.000000000000 0.468842000000 1.000000000000 0.550000000000 1.000000000000 C:cc-pVTZ Dunning's correlation consistent basis set 4 0 1 2 3 4 3 2 1 10 5 2 1 8236.000000000000 1235.000000000000 280.800000000000 79.270000000000 25.590000000000 8.997000000000 3.319000000000 0.905900000000 0.364300000000 0.128500000000 0.000531000000 -0.000113000000 0.000000000000 0.000000000000 0.004108000000 -0.000878000000 0.000000000000 0.000000000000 0.021087000000 -0.004540000000 0.000000000000 0.000000000000 0.081853000000 -0.018133000000 0.000000000000 0.000000000000 0.234817000000 -0.055760000000 0.000000000000 0.000000000000 0.434401000000 -0.126895000000 0.000000000000 0.000000000000 0.346129000000 -0.170352000000 0.000000000000 0.000000000000 0.039378000000 0.140382000000 1.000000000000 0.000000000000 -0.008983000000 0.598684000000 0.000000000000 0.000000000000 0.002385000000 0.395389000000 0.000000000000 1.000000000000 18.710000000000 4.133000000000 1.200000000000 0.382700000000 0.120900000000 0.014031000000 0.000000000000 0.000000000000 0.086866000000 0.000000000000 0.000000000000 0.290216000000 0.000000000000 0.000000000000 0.501008000000 1.000000000000 0.000000000000 0.343406000000 0.000000000000 1.000000000000 1.097000000000 0.318000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 0.761000000000 1.000000000000 C:cc-pVQZ Dunning's correlation consistent basis set 5 0 1 2 3 4 5 4 3 2 1 12 6 3 2 1 33980.000000000000 5089.000000000000 1157.000000000000 326.600000000000 106.100000000000 38.110000000000 14.750000000000 6.035000000000 2.530000000000 0.735500000000 0.290500000000 0.111100000000 0.000091000000 -0.000019000000 0.000000000000 0.000000000000 0.000000000000 0.000704000000 -0.000151000000 0.000000000000 0.000000000000 0.000000000000 0.003693000000 -0.000785000000 0.000000000000 0.000000000000 0.000000000000 0.015360000000 -0.003324000000 0.000000000000 0.000000000000 0.000000000000 0.052929000000 -0.011512000000 0.000000000000 0.000000000000 0.000000000000 0.147043000000 -0.034160000000 0.000000000000 0.000000000000 0.000000000000 0.305631000000 -0.077173000000 0.000000000000 0.000000000000 0.000000000000 0.399345000000 -0.141493000000 0.000000000000 0.000000000000 0.000000000000 0.217051000000 -0.118019000000 0.000000000000 0.000000000000 0.000000000000 0.015894000000 0.273806000000 1.000000000000 0.000000000000 0.000000000000 -0.003084000000 0.586510000000 0.000000000000 1.000000000000 0.000000000000 0.000978000000 0.285430000000 0.000000000000 0.000000000000 1.000000000000 34.510000000000 7.915000000000 2.368000000000 0.813200000000 0.289000000000 0.100700000000 0.005378000000 0.000000000000 0.000000000000 0.000000000000 0.036132000000 0.000000000000 0.000000000000 0.000000000000 0.142493000000 0.000000000000 0.000000000000 0.000000000000 0.342150000000 1.000000000000 0.000000000000 0.000000000000 0.463864000000 0.000000000000 1.000000000000 0.000000000000 0.250028000000 0.000000000000 0.000000000000 1.000000000000 1.848000000000 0.649000000000 0.228000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.419000000000 0.485000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 1.011000000000 1.000000000000 C: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 96770.000000000000 14500.000000000000 3300.000000000000 935.800000000000 306.200000000000 111.300000000000 43.900000000000 18.400000000000 8.054000000000 3.637000000000 1.656000000000 0.633300000000 0.254500000000 0.101900000000 0.000025000000 -0.000005000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000190000000 -0.000041000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001000000000 -0.000213000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.004183000000 -0.000897000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.014859000000 -0.003187000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.045301000000 -0.009961000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.116504000000 -0.026375000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.240249000000 -0.060001000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.358799000000 -0.106825000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.293941000000 -0.144166000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.077665000000 -0.024644200000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002333000000 0.349009000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000505000000 0.558737000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000030000000 0.228102000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 101.800000000000 24.040000000000 7.571000000000 2.732000000000 1.085000000000 0.449600000000 0.187600000000 0.076060000000 0.000891000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006976000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.031669000000 0.000000000000 0.000000000000 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1.000000000000 C: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 312100.000000000000 46740.000000000000 10640.000000000000 3013.000000000000 982.800000000000 354.800000000000 138.400000000000 57.350000000000 24.920000000000 11.230000000000 5.201000000000 2.426000000000 0.967300000000 0.445600000000 0.197100000000 0.086350000000 0.000005700000 -0.000001200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000044100000 -0.000009400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000231900000 -0.000049500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000979000000 -0.000208600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003551600000 -0.000760200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.011440600000 -0.002454700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.032998600000 -0.007201500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.084053500000 -0.018807400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.180676100000 -0.043250000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.304911400000 -0.082597300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.341415700000 -0.128575900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.177178700000 -0.107602800000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.018922300000 0.124077300000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.001711200000 0.428517700000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.001035800000 0.461233200000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 -0.000152000000 0.137616600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 295.200000000000 69.980000000000 22.640000000000 8.485000000000 3.459000000000 1.504000000000 0.678300000000 0.308700000000 0.140000000000 0.061780000000 0.000142500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001220100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006337000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.023518800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.069904500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.165460500000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.287104400000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.352802700000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.265336600000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.071733600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 4.542000000000 1.979000000000 0.862100000000 0.375600000000 0.163600000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.631000000000 1.255000000000 0.598800000000 0.285700000000 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 2.652000000000 1.204000000000 0.547000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.030000000000 0.851100000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 1.491000000000 1.000000000000 C:cc-pCVDZ Dunning's correlation consistent basis set 3 0 1 2 4 3 1 10 5 1 6665.000000000000 1000.000000000000 228.000000000000 64.710000000000 21.060000000000 7.495000000000 2.797000000000 0.521500000000 0.159600000000 4.530000000000 0.000692000000 -0.000146000000 0.000000000000 0.000000000000 0.005329000000 -0.001154000000 0.000000000000 0.000000000000 0.027077000000 -0.005725000000 0.000000000000 0.000000000000 0.101718000000 -0.023312000000 0.000000000000 0.000000000000 0.274740000000 -0.063955000000 0.000000000000 0.000000000000 0.448564000000 -0.149981000000 0.000000000000 0.000000000000 0.285074000000 -0.127262000000 0.000000000000 0.000000000000 0.015204000000 0.544529000000 0.000000000000 0.000000000000 -0.003191000000 0.580496000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 9.439000000000 2.002000000000 0.545600000000 0.151700000000 14.557000000000 0.038109000000 0.000000000000 0.000000000000 0.209480000000 0.000000000000 0.000000000000 0.508557000000 0.000000000000 0.000000000000 0.468842000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.550000000000 1.000000000000 C:cc-pCVTZ Dunning's correlation consistent basis set 4 0 1 2 3 6 5 3 1 12 7 3 1 8236.000000000000 1235.000000000000 280.800000000000 79.270000000000 25.590000000000 8.997000000000 3.319000000000 0.905900000000 0.364300000000 0.128500000000 4.292000000000 11.876000000000 0.000531000000 -0.000113000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.004108000000 -0.000878000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.021087000000 -0.004540000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.081853000000 -0.018133000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.234817000000 -0.055760000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.434401000000 -0.126895000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.346129000000 -0.170352000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.039378000000 0.140382000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.008983000000 0.598684000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002385000000 0.395389000000 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 18.710000000000 4.133000000000 1.200000000000 0.382700000000 0.120900000000 8.778000000000 33.190000000000 0.014031000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.086866000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.290216000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.501008000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.343406000000 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 1.097000000000 0.318000000000 14.839000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.761000000000 1.000000000000 C:cc-pCVQZ Dunning's correlation consistent basis set 5 0 1 2 3 4 8 7 5 3 1 15 9 5 3 1 33980.000000000000 5089.000000000000 1157.000000000000 326.600000000000 106.100000000000 38.110000000000 14.750000000000 6.035000000000 2.530000000000 0.735500000000 0.290500000000 0.111100000000 7.216000000000 19.570000000000 53.073000000000 0.000091000000 -0.000019000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000704000000 -0.000151000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003693000000 -0.000785000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.015360000000 -0.003324000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.052929000000 -0.011512000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.147043000000 -0.034160000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.305631000000 -0.077173000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.399345000000 -0.141493000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.217051000000 -0.118019000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.015894000000 0.273806000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.003084000000 0.586510000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000978000000 0.285430000000 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 34.510000000000 7.915000000000 2.368000000000 0.813200000000 0.289000000000 0.100700000000 8.182000000000 24.186000000000 71.494000000000 0.005378000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.036132000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.142493000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.342150000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.463864000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.250028000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.848000000000 0.649000000000 0.228000000000 8.656000000000 33.213000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.419000000000 0.485000000000 24.694000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.011000000000 1.000000000000 C: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 96770.000000000000 14500.000000000000 3300.000000000000 935.800000000000 306.200000000000 111.300000000000 43.900000000000 18.400000000000 8.054000000000 3.637000000000 1.656000000000 0.633300000000 0.254500000000 0.101900000000 9.185000000000 20.795000000000 47.080000000000 106.588000000000 0.000025000000 -0.000005000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000190000000 -0.000041000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001000000000 -0.000213000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.004183000000 -0.000897000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.014859000000 -0.003187000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.045301000000 -0.009961000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.116504000000 -0.026375000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.240249000000 -0.060001000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.358799000000 -0.106825000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.293941000000 -0.144166000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.077665000000 -0.024644200000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002333000000 0.349009000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000505000000 0.558737000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000030000000 0.228102000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 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set 7 0 1 2 3 4 5 6 12 11 9 7 5 3 1 21 15 9 7 5 3 1 312100.000000000000 46740.000000000000 10640.000000000000 3013.000000000000 982.800000000000 354.800000000000 138.400000000000 57.350000000000 24.920000000000 11.230000000000 5.201000000000 2.426000000000 0.967300000000 0.445600000000 0.197100000000 0.086350000000 11.674000000000 23.231000000000 46.230000000000 91.998000000000 183.076000000000 0.000005700000 -0.000001200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000044100000 -0.000009400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000231900000 -0.000049500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000979000000 -0.000208600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003551600000 -0.000760200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.011440600000 -0.002454700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.032998600000 -0.007201500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.084053500000 -0.018807400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.180676100000 -0.043250000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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7.495000000000 2.797000000000 0.521500000000 0.159600000000 0.046900000000 0.000692000000 -0.000146000000 0.000000000000 0.000000000000 0.005329000000 -0.001154000000 0.000000000000 0.000000000000 0.027077000000 -0.005725000000 0.000000000000 0.000000000000 0.101718000000 -0.023312000000 0.000000000000 0.000000000000 0.274740000000 -0.063955000000 0.000000000000 0.000000000000 0.448564000000 -0.149981000000 0.000000000000 0.000000000000 0.285074000000 -0.127262000000 0.000000000000 0.000000000000 0.015204000000 0.544529000000 0.000000000000 0.000000000000 -0.003191000000 0.580496000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 9.439000000000 2.002000000000 0.545600000000 0.151700000000 0.040410000000 0.038109000000 0.000000000000 0.000000000000 0.209480000000 0.000000000000 0.000000000000 0.508557000000 0.000000000000 0.000000000000 0.468842000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.550000000000 0.151000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 C:aug-cc-pVTZ Dunning's correlation consistent basis set 4 0 1 2 3 5 4 3 2 11 6 3 2 8236.000000000000 1235.000000000000 280.800000000000 79.270000000000 25.590000000000 8.997000000000 3.319000000000 0.905900000000 0.364300000000 0.128500000000 0.044020000000 0.000531000000 -0.000113000000 0.000000000000 0.000000000000 0.000000000000 0.004108000000 -0.000878000000 0.000000000000 0.000000000000 0.000000000000 0.021087000000 -0.004540000000 0.000000000000 0.000000000000 0.000000000000 0.081853000000 -0.018133000000 0.000000000000 0.000000000000 0.000000000000 0.234817000000 -0.055760000000 0.000000000000 0.000000000000 0.000000000000 0.434401000000 -0.126895000000 0.000000000000 0.000000000000 0.000000000000 0.346129000000 -0.170352000000 0.000000000000 0.000000000000 0.000000000000 0.039378000000 0.140382000000 1.000000000000 0.000000000000 0.000000000000 -0.008983000000 0.598684000000 0.000000000000 0.000000000000 0.000000000000 0.002385000000 0.395389000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 18.710000000000 4.133000000000 1.200000000000 0.382700000000 0.120900000000 0.035690000000 0.014031000000 0.000000000000 0.000000000000 0.000000000000 0.086866000000 0.000000000000 0.000000000000 0.000000000000 0.290216000000 0.000000000000 0.000000000000 0.000000000000 0.501008000000 1.000000000000 0.000000000000 0.000000000000 0.343406000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.097000000000 0.318000000000 0.100000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.761000000000 0.268000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 C:aug-cc-pVQZ Dunning's correlation consistent basis set 5 0 1 2 3 4 6 5 4 3 2 13 7 4 3 2 33980.000000000000 5089.000000000000 1157.000000000000 326.600000000000 106.100000000000 38.110000000000 14.750000000000 6.035000000000 2.530000000000 0.735500000000 0.290500000000 0.111100000000 0.041450000000 0.000091000000 -0.000019000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000704000000 -0.000151000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003693000000 -0.000785000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.015360000000 -0.003324000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.052929000000 -0.011512000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.147043000000 -0.034160000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.305631000000 -0.077173000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.399345000000 -0.141493000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.217051000000 -0.118019000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.015894000000 0.273806000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.003084000000 0.586510000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000978000000 0.285430000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 34.510000000000 7.915000000000 2.368000000000 0.813200000000 0.289000000000 0.100700000000 0.032180000000 0.005378000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.036132000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.142493000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.342150000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.463864000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.250028000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.848000000000 0.649000000000 0.228000000000 0.076600000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.419000000000 0.485000000000 0.187000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.011000000000 0.424000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 C:aug-cc-pV5Z Dunning's correlation consistent basis set 6 0 1 2 3 4 5 7 6 5 4 3 2 15 9 5 4 3 2 96770.000000000000 14500.000000000000 3300.000000000000 935.800000000000 306.200000000000 111.300000000000 43.900000000000 18.400000000000 8.054000000000 3.637000000000 1.656000000000 0.633300000000 0.254500000000 0.101900000000 0.039400000000 0.000025000000 -0.000005000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000190000000 -0.000041000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001000000000 -0.000213000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.004183000000 -0.000897000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.014859000000 -0.003187000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.045301000000 -0.009961000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.116504000000 -0.026375000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.240249000000 -0.060001000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.358799000000 -0.106825000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.293941000000 -0.144166000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.077665000000 -0.024644200000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002333000000 0.349009000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000505000000 0.558737000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000030000000 0.228102000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 101.800000000000 24.040000000000 7.571000000000 2.732000000000 1.085000000000 0.449600000000 0.187600000000 0.076060000000 0.027200000000 0.000891000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006976000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.031669000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.104006000000 0.000000000000 0.000000000000 0.000000000000 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1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.753000000000 0.678000000000 0.319000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.259000000000 0.586000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 C: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 312100.000000000000 46740.000000000000 10640.000000000000 3013.000000000000 982.800000000000 354.800000000000 138.400000000000 57.350000000000 24.920000000000 11.230000000000 5.201000000000 2.426000000000 0.967300000000 0.445600000000 0.197100000000 0.086350000000 0.035400000000 0.000005700000 -0.000001200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000044100000 -0.000009400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000231900000 -0.000049500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000979000000 -0.000208600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003551600000 -0.000760200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.011440600000 -0.002454700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.032998600000 -0.007201500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.084053500000 -0.018807400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.180676100000 -0.043250000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.304911400000 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8.485000000000 3.459000000000 1.504000000000 0.678300000000 0.308700000000 0.140000000000 0.061780000000 0.023760000000 0.000142500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001220100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006337000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.023518800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.069904500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.165460500000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.287104400000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.352802700000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.265336600000 0.000000000000 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1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.652000000000 1.204000000000 0.547000000000 0.254000000000 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 2.030000000000 0.851100000000 0.451000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.491000000000 0.776000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 C:aug-cc-pCVDZ Dunning's correlation consistent basis set 3 0 1 2 5 4 2 11 6 2 6665.000000000000 1000.000000000000 228.000000000000 64.710000000000 21.060000000000 7.495000000000 2.797000000000 0.521500000000 0.159600000000 4.530000000000 0.046900000000 0.000692000000 -0.000146000000 0.000000000000 0.000000000000 0.000000000000 0.005329000000 -0.001154000000 0.000000000000 0.000000000000 0.000000000000 0.027077000000 -0.005725000000 0.000000000000 0.000000000000 0.000000000000 0.101718000000 -0.023312000000 0.000000000000 0.000000000000 0.000000000000 0.274740000000 -0.063955000000 0.000000000000 0.000000000000 0.000000000000 0.448564000000 -0.149981000000 0.000000000000 0.000000000000 0.000000000000 0.285074000000 -0.127262000000 0.000000000000 0.000000000000 0.000000000000 0.015204000000 0.544529000000 0.000000000000 0.000000000000 0.000000000000 -0.003191000000 0.580496000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 9.439000000000 2.002000000000 0.545600000000 0.151700000000 14.557000000000 0.040410000000 0.038109000000 0.000000000000 0.000000000000 0.000000000000 0.209480000000 0.000000000000 0.000000000000 0.000000000000 0.508557000000 0.000000000000 0.000000000000 0.000000000000 0.468842000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.550000000000 0.151000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 C:aug-cc-pCVTZ Dunning's correlation consistent basis set 4 0 1 2 3 7 6 4 2 13 8 4 2 8236.000000000000 1235.000000000000 280.800000000000 79.270000000000 25.590000000000 8.997000000000 3.319000000000 0.905900000000 0.364300000000 0.128500000000 4.292000000000 11.876000000000 0.044020000000 0.000531000000 -0.000113000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.004108000000 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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 6.116000000000 1.419000000000 0.485000000000 0.187000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.011000000000 0.424000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 C:aug-cc-pwCV5Z Dunning's correlation consistent basis set 6 0 1 2 3 4 5 11 10 8 6 4 2 19 13 8 6 4 2 96770.000000000000 14500.000000000000 3300.000000000000 935.800000000000 306.200000000000 111.300000000000 83.731000000000 43.900000000000 38.226000000000 18.400000000000 17.452000000000 8.054000000000 7.967000000000 3.637000000000 1.656000000000 0.633300000000 0.254500000000 0.101900000000 0.039400000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000025000000 0.000000000000 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0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 24.398000000000 6.698000000000 2.006000000000 0.838000000000 0.350000000000 0.138000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 7.311000000000 1.753000000000 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0.297700000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 C:cc-pVTZ-F12 Peterson's F12 basis set 4 0 1 2 3 6 6 3 2 13 7 3 2 33980.000000000000 5089.000000000000 1157.000000000000 326.600000000000 106.100000000000 38.110000000000 14.750000000000 6.035000000000 2.530000000000 0.735500000000 0.290500000000 0.111100000000 0.041450000000 0.000091000000 -0.000019000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000704000000 -0.000151000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003693000000 -0.000785000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.015360000000 -0.003324000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.052929000000 -0.011512000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.147043000000 -0.034160000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.305631000000 -0.077173000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.399345000000 -0.141493000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.217051000000 -0.118019000000 0.000000000000 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 34.510000000000 7.915000000000 2.368000000000 0.813200000000 0.289000000000 0.100700000000 0.032180000000 0.005378000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.036132000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.280500000000 0.783400000000 0.269100000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.037100000000 0.345900000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 C:cc-pVQZ-F12 Peterson's F12 basis set 5 0 1 2 3 4 7 7 4 3 2 15 9 4 3 2 96770.000000000000 14500.000000000000 3300.000000000000 935.800000000000 306.200000000000 111.300000000000 43.900000000000 18.400000000000 8.054000000000 3.637000000000 1.656000000000 0.633300000000 0.254500000000 0.101900000000 0.039400000000 0.000025000000 -0.000005000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000190000000 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0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 3.705600000000 1.421200000000 0.545100000000 0.209100000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.443800000000 0.593100000000 0.243600000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.182500000000 0.468500000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 C:STO-3G Pople's Gaussian basis set 2 0 1 2 1 6 3 71.616837300000 13.045096300000 3.530512200000 2.941249400000 0.683483100000 0.222289900000 0.154329000000 0.000000000000 0.535328100000 0.000000000000 0.444634500000 0.000000000000 0.000000000000 -0.099967200000 0.000000000000 0.399512800000 0.000000000000 0.700115500000 2.941249400000 0.683483100000 0.222289900000 0.155916300000 0.607683700000 0.391957400000 C:3-21G Pople's Gaussian basis set 2 0 1 3 2 6 3 172.256000000000 25.910900000000 5.533350000000 3.664980000000 0.770545000000 0.195857000000 0.061766900000 0.000000000000 0.000000000000 0.358794000000 0.000000000000 0.000000000000 0.700713000000 0.000000000000 0.000000000000 0.000000000000 -0.395897000000 0.000000000000 0.000000000000 1.215840000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 3.664980000000 0.770545000000 0.195857000000 0.236460000000 0.000000000000 0.860619000000 0.000000000000 0.000000000000 1.000000000000 C:6-31G Pople's Gaussian basis set 2 0 1 3 2 10 4 3047.524880000000 457.369518000000 103.948685000000 29.210155300000 9.286663000000 3.163927000000 7.868272400000 1.881288500000 0.544249300000 0.168714500000 0.001834700000 0.000000000000 0.000000000000 0.014037300000 0.000000000000 0.000000000000 0.068842600000 0.000000000000 0.000000000000 0.232184400000 0.000000000000 0.000000000000 0.467941300000 0.000000000000 0.000000000000 0.362312000000 0.000000000000 0.000000000000 0.000000000000 -0.119332400000 0.000000000000 0.000000000000 -0.160854200000 0.000000000000 0.000000000000 1.143456400000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 7.868272400000 1.881288500000 0.544249300000 0.168714500000 0.068999100000 0.000000000000 0.316424000000 0.000000000000 0.744308300000 0.000000000000 0.000000000000 1.000000000000 C:6-311G Pople's Gaussian basis set 2 0 1 4 3 11 5 4563.240000000000 682.024000000000 154.973000000000 44.455300000000 13.029000000000 1.827730000000 20.964200000000 4.803310000000 1.459330000000 0.483456000000 0.145585000000 0.001966700000 0.000000000000 0.000000000000 0.000000000000 0.015230600000 0.000000000000 0.000000000000 0.000000000000 0.076126900000 0.000000000000 0.000000000000 0.000000000000 0.260801000000 0.000000000000 0.000000000000 0.000000000000 0.616462000000 0.000000000000 0.000000000000 0.000000000000 0.221006000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.114660000000 0.000000000000 0.000000000000 0.000000000000 0.919999000000 0.000000000000 0.000000000000 0.000000000000 -0.003030700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 20.964200000000 4.803310000000 1.459330000000 0.483456000000 0.145585000000 0.040248700000 0.000000000000 0.000000000000 0.237594000000 0.000000000000 0.000000000000 0.815854000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 C:6-31G* Pople's Gaussian basis set 3 0 1 2 3 2 1 10 4 1 3047.524880000000 457.369518000000 103.948685000000 29.210155300000 9.286663000000 3.163927000000 7.868272400000 1.881288500000 0.544249300000 0.168714500000 0.001834700000 0.000000000000 0.000000000000 0.014037300000 0.000000000000 0.000000000000 0.068842600000 0.000000000000 0.000000000000 0.232184400000 0.000000000000 0.000000000000 0.467941300000 0.000000000000 0.000000000000 0.362312000000 0.000000000000 0.000000000000 0.000000000000 -0.119332400000 0.000000000000 0.000000000000 -0.160854200000 0.000000000000 0.000000000000 1.143456400000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 7.868272400000 1.881288500000 0.544249300000 0.168714500000 0.068999100000 0.000000000000 0.316424000000 0.000000000000 0.744308300000 0.000000000000 0.000000000000 1.000000000000 0.800000000000 1.000000000000 C:6-311G* Pople's Gaussian basis set 3 0 1 2 4 3 1 11 5 1 4563.240000000000 682.024000000000 154.973000000000 44.455300000000 13.029000000000 1.827730000000 20.964200000000 4.803310000000 1.459330000000 0.483456000000 0.145585000000 0.001966700000 0.000000000000 0.000000000000 0.000000000000 0.015230600000 0.000000000000 0.000000000000 0.000000000000 0.076126900000 0.000000000000 0.000000000000 0.000000000000 0.260801000000 0.000000000000 0.000000000000 0.000000000000 0.616462000000 0.000000000000 0.000000000000 0.000000000000 0.221006000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.114660000000 0.000000000000 0.000000000000 0.000000000000 0.919999000000 0.000000000000 0.000000000000 0.000000000000 -0.003030700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 20.964200000000 4.803310000000 1.459330000000 0.483456000000 0.145585000000 0.040248700000 0.000000000000 0.000000000000 0.237594000000 0.000000000000 0.000000000000 0.815854000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.626000000000 1.000000000000 C:6-31+G* Pople's Gaussian basis set 3 0 1 2 4 3 1 11 5 1 3047.524900000000 457.369510000000 103.948690000000 29.210155000000 9.286663000000 3.163927000000 7.868272400000 1.881288500000 0.544249300000 0.168714400000 0.043800000000 0.001834700000 0.000000000000 0.000000000000 0.000000000000 0.014037300000 0.000000000000 0.000000000000 0.000000000000 0.068842600000 0.000000000000 0.000000000000 0.000000000000 0.232184400000 0.000000000000 0.000000000000 0.000000000000 0.467941300000 0.000000000000 0.000000000000 0.000000000000 0.362312000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.119332400000 0.000000000000 0.000000000000 0.000000000000 -0.160854200000 0.000000000000 0.000000000000 0.000000000000 1.143456400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 7.868272400000 1.881288500000 0.544249300000 0.168714400000 0.043800000000 0.068999100000 0.000000000000 0.000000000000 0.316424000000 0.000000000000 0.000000000000 0.744308300000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.800000000000 1.000000000000 C:6-311+G* Pople's Gaussian basis set 3 0 1 2 5 4 1 12 6 1 4563.240000000000 682.024000000000 154.973000000000 44.455300000000 13.029000000000 1.827730000000 20.964200000000 4.803310000000 1.459330000000 0.483456000000 0.145585000000 0.043800000000 0.001966600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.015230600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.076126900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.260801000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.616462000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.221006000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.114660000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.919999000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.003030600000 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 20.964200000000 4.803310000000 1.459330000000 0.483456000000 0.145585000000 0.043800000000 0.040248700000 0.000000000000 0.000000000000 0.000000000000 0.237594000000 0.000000000000 0.000000000000 0.000000000000 0.815854000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.626000000000 1.000000000000 C:def2-SV(P) Weigend and Ahlrichs' Gaussian basis set 3 0 1 2 3 2 1 7 4 1 1238.401693800000 186.290049920000 42.251176346000 11.676557932000 3.593050648200 0.402451473630 0.130901826680 0.005456883208 0.000000000000 0.000000000000 0.040638409211 0.000000000000 0.000000000000 0.180255938880 0.000000000000 0.000000000000 0.463151217550 0.000000000000 0.000000000000 0.440871733140 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 9.468097062100 2.010354514200 0.547710047070 0.152686137950 0.038387871728 0.000000000000 0.211170251120 0.000000000000 0.513281721140 0.000000000000 0.000000000000 1.000000000000 0.800000000000 1.000000000000 C:def2-SVP Weigend and Ahlrichs' Gaussian basis set 3 0 1 2 3 2 1 7 4 1 1238.401693800000 186.290049920000 42.251176346000 11.676557932000 3.593050648200 0.402451473630 0.130901826680 0.005456883208 0.000000000000 0.000000000000 0.040638409211 0.000000000000 0.000000000000 0.180255938880 0.000000000000 0.000000000000 0.463151217550 0.000000000000 0.000000000000 0.440871733140 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 9.468097062100 2.010354514200 0.547710047070 0.152686137950 0.038387871728 0.000000000000 0.211170251120 0.000000000000 0.513281721140 0.000000000000 0.000000000000 1.000000000000 0.800000000000 1.000000000000 C:def2-TZVP Weigend and Ahlrichs' Gaussian basis set 4 0 1 2 3 5 3 2 1 11 6 2 1 13575.349682000000 2035.233368000000 463.225623590000 131.200195980000 42.853015891000 15.584185766000 6.206713850800 2.576489652700 0.576963394190 0.229728313580 0.095164440028 0.000222458144 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001723273825 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.008925571531 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.035727984502 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.110762599310 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.242956276260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.414402634480 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.237449686550 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 34.697232244000 7.958262282600 2.378082688300 0.814332081830 0.288875472530 0.100568236710 0.005333365781 0.000000000000 0.000000000000 0.035864109092 0.000000000000 0.000000000000 0.142158733290 0.000000000000 0.000000000000 0.342704718450 0.000000000000 0.000000000000 0.000000000000 0.464458224330 0.000000000000 0.000000000000 0.000000000000 0.249557898740 1.097000000000 0.318000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 0.761000000000 1.000000000000 C:def2-TZVPP Weigend and Ahlrichs' Gaussian basis set 4 0 1 2 3 5 3 2 1 11 6 2 1 13575.349682000000 2035.233368000000 463.225623590000 131.200195980000 42.853015891000 15.584185766000 6.206713850800 2.576489652700 0.576963394190 0.229728313580 0.095164440028 0.000222458144 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001723273825 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.008925571531 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.035727984502 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.110762599310 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.242956276260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.414402634480 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.237449686550 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 34.697232244000 7.958262282600 2.378082688300 0.814332081830 0.288875472530 0.100568236710 0.005333365781 0.000000000000 0.000000000000 0.035864109092 0.000000000000 0.000000000000 0.142158733290 0.000000000000 0.000000000000 0.342704718450 0.000000000000 0.000000000000 0.000000000000 0.464458224330 0.000000000000 0.000000000000 0.000000000000 0.249557898740 1.097000000000 0.318000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 0.761000000000 1.000000000000 C:def2-QZVP Weigend and Ahlrichs' Gaussian basis set 5 0 1 2 3 4 7 4 3 2 1 15 8 3 2 1 67025.071028999999 10039.986537999999 2284.931691100000 647.141221300000 211.094723350000 76.177643862000 29.633839163000 12.187785081000 53.026006299000 15.258502776000 5.240395746400 2.290502237900 0.696732830060 0.275993373630 0.107398843890 0.000038736309 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000301079176 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001578791809 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006608708719 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.023367123250 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.070420716898 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.173603449530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.322923056480 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.074897404492 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.761362209830 0.000000000000 0.000000000000 0.000000000000 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 105.125550820000 24.884461066000 7.863723082600 2.840700183500 1.122713733500 0.460507255550 0.189375309130 0.075983791611 0.000846475538 0.000000000000 0.000000000000 0.000000000000 0.006627403853 0.000000000000 0.000000000000 0.000000000000 0.030120390419 0.000000000000 0.000000000000 0.000000000000 0.099951435476 0.000000000000 0.000000000000 0.000000000000 0.238262992820 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 1.848000000000 0.649000000000 0.228000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.419000000000 0.485000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 1.011000000000 1.000000000000 C:def2-QZVPP Weigend and Ahlrichs' Gaussian basis set 5 0 1 2 3 4 7 4 3 2 1 15 8 3 2 1 67025.071028999999 10039.986537999999 2284.931691100000 647.141221300000 211.094723350000 76.177643862000 29.633839163000 12.187785081000 53.026006299000 15.258502776000 5.240395746400 2.290502237900 0.696732830060 0.275993373630 0.107398843890 0.000038736309 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000301079176 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001578791809 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006608708719 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.023367123250 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.070420716898 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.173603449530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.322923056480 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.074897404492 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.761362209830 0.000000000000 0.000000000000 0.000000000000 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 105.125550820000 24.884461066000 7.863723082600 2.840700183500 1.122713733500 0.460507255550 0.189375309130 0.075983791611 0.000846475538 0.000000000000 0.000000000000 0.000000000000 0.006627403853 0.000000000000 0.000000000000 0.000000000000 0.030120390419 0.000000000000 0.000000000000 0.000000000000 0.099951435476 0.000000000000 0.000000000000 0.000000000000 0.238262992820 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 1.848000000000 0.649000000000 0.228000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.419000000000 0.485000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 1.011000000000 1.000000000000 C:def2-SVPD Weigend and Ahlrichs' Gaussian basis set 3 0 1 2 4 2 2 8 4 2 1238.401693800000 186.290049920000 42.251176346000 11.676557932000 3.593050648200 0.402451473630 0.130901826680 0.067053540256 0.005456883208 0.000000000000 0.000000000000 0.000000000000 0.040638409211 0.000000000000 0.000000000000 0.000000000000 0.180255938880 0.000000000000 0.000000000000 0.000000000000 0.463151217550 0.000000000000 0.000000000000 0.000000000000 0.440871733140 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 9.468097062100 2.010354514200 0.547710047070 0.152686137950 0.038387871728 0.000000000000 0.211170251120 0.000000000000 0.513281721140 0.000000000000 0.000000000000 1.000000000000 0.800000000000 0.117131851400 1.000000000000 0.000000000000 0.000000000000 1.000000000000 C:def2-TZVPD Weigend and Ahlrichs' Gaussian basis set 4 0 1 2 3 6 3 3 1 12 6 3 1 13575.349682000000 2035.233368000000 463.225623590000 131.200195980000 42.853015891000 15.584185766000 6.206713850800 2.576489652700 0.576963394190 0.229728313580 0.095164440028 0.048475401370 0.000222458144 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001723273825 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.008925571531 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.035727984502 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.110762599310 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.242956276260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.414402634480 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.237449686550 0.000000000000 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 34.697232244000 7.958262282600 2.378082688300 0.814332081830 0.288875472530 0.100568236710 0.005333365781 0.000000000000 0.000000000000 0.035864109092 0.000000000000 0.000000000000 0.142158733290 0.000000000000 0.000000000000 0.342704718450 0.000000000000 0.000000000000 0.000000000000 0.464458224330 0.000000000000 0.000000000000 0.000000000000 0.249557898740 1.097000000000 0.318000000000 0.090985336424 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.761000000000 1.000000000000 C:def2-TZVPPD Weigend and Ahlrichs' Gaussian basis set 4 0 1 2 3 6 3 3 1 12 6 3 1 13575.349682000000 2035.233368000000 463.225623590000 131.200195980000 42.853015891000 15.584185766000 6.206713850800 2.576489652700 0.576963394190 0.229728313580 0.095164440028 0.048475401370 0.000222458144 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001723273825 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.008925571531 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.035727984502 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.110762599310 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.242956276260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.414402634480 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.237449686550 0.000000000000 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 34.697232244000 7.958262282600 2.378082688300 0.814332081830 0.288875472530 0.100568236710 0.005333365781 0.000000000000 0.000000000000 0.035864109092 0.000000000000 0.000000000000 0.142158733290 0.000000000000 0.000000000000 0.342704718450 0.000000000000 0.000000000000 0.000000000000 0.464458224330 0.000000000000 0.000000000000 0.000000000000 0.249557898740 1.097000000000 0.318000000000 0.090985336424 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.761000000000 1.000000000000 C:def2-QZVPD Weigend and Ahlrichs' Gaussian basis set 5 0 1 2 3 4 8 4 4 2 1 16 8 4 2 1 67025.071028999999 10039.986537999999 2284.931691100000 647.141221300000 211.094723350000 76.177643862000 29.633839163000 12.187785081000 53.026006299000 15.258502776000 5.240395746400 2.290502237900 0.696732830060 0.275993373630 0.107398843890 0.044981404899 0.000038736309 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000301079176 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001578791809 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006608708719 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 105.125550820000 24.884461066000 7.863723082600 2.840700183500 1.122713733500 0.460507255550 0.189375309130 0.075983791611 0.000846475538 0.000000000000 0.000000000000 0.000000000000 0.006627403853 0.000000000000 0.000000000000 0.000000000000 0.030120390419 0.000000000000 0.000000000000 0.000000000000 0.099951435476 0.000000000000 0.000000000000 0.000000000000 0.238262992820 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 1.848000000000 0.649000000000 0.228000000000 0.076889830417 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.419000000000 0.485000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 1.011000000000 1.000000000000 C:def2-QZVPPD Weigend and Ahlrichs' Gaussian basis set 5 0 1 2 3 4 8 4 4 2 1 16 8 4 2 1 67025.071028999999 10039.986537999999 2284.931691100000 647.141221300000 211.094723350000 76.177643862000 29.633839163000 12.187785081000 53.026006299000 15.258502776000 5.240395746400 2.290502237900 0.696732830060 0.275993373630 0.107398843890 0.044981404899 0.000038736309 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000301079176 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001578791809 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006608708719 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.023367123250 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.070420716898 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.173603449530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.322923056480 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.074897404492 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.761362209830 0.000000000000 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0.000000000000 0.000000000000 0.000000000000 0.030120390419 0.000000000000 0.000000000000 0.000000000000 0.099951435476 0.000000000000 0.000000000000 0.000000000000 0.238262992820 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 1.848000000000 0.649000000000 0.228000000000 0.076889830417 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.419000000000 0.485000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 1.011000000000 1.000000000000 C:LANL2DZ Hay and Wadt's LANL2DZ Gaussian basis set 2 0 1 3 2 10 5 4233.000000000000 634.900000000000 146.100000000000 42.500000000000 14.190000000000 5.148000000000 1.967000000000 5.148000000000 0.496200000000 0.153300000000 0.001220000000 0.000000000000 0.000000000000 0.009342000000 0.000000000000 0.000000000000 0.045452000000 0.000000000000 0.000000000000 0.154657000000 0.000000000000 0.000000000000 0.358866000000 0.000000000000 0.000000000000 0.438632000000 0.000000000000 0.000000000000 0.145918000000 0.000000000000 0.000000000000 0.000000000000 -0.168367000000 0.000000000000 0.000000000000 1.060091000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 18.160000000000 3.986000000000 1.143000000000 0.359400000000 0.114600000000 0.018539000000 0.000000000000 0.115436000000 0.000000000000 0.386188000000 0.000000000000 0.640114000000 0.000000000000 0.000000000000 1.000000000000 C:cc-pVDZ-RI Weigend's auxiliary basis set 4 0 1 2 3 7 5 4 2 7 5 4 2 62.745300000000 13.804500000000 4.772770000000 1.513330000000 0.782697000000 0.409072000000 0.206796000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 10.171500000000 2.678440000000 0.922515000000 0.340842000000 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 2.742930000000 0.895756000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 C:cc-pVTZ-RI Weigend's auxiliary basis set 5 0 1 2 3 4 8 6 5 3 1 8 6 5 3 1 280.556611880000 60.230247191000 22.116650824000 6.862093289600 1.562254953900 0.912450454950 0.502749170440 0.215823487490 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 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0.000000000000 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 9.718981081500 3.035147500300 1.467773756200 0.573708279090 0.290555896680 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.275620130300 1.196889885200 0.541574872160 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.216610163800 1.000000000000 C: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 1 221.309708160000 47.118565820000 9.171526760000 4.179168230000 1.639209380000 0.872371340000 0.489645620000 0.249261450000 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 49.862264980000 12.325982010000 3.590642310000 1.688444020000 1.053381830000 0.517168170000 0.245451730000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 16.935433640000 5.640286910000 2.204215290000 1.031012400000 0.599455540000 0.352145020000 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 5.448411150000 2.263013960000 1.738978440000 0.729794870000 0.348632560000 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 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7.559750000000 3.116540000000 2.054360000000 1.114180000000 0.603184000000 0.334627000000 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 4.244100000000 2.155990000000 1.023150000000 0.593235000000 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 2.702190000000 1.508080000000 0.860125000000 1.000000000000 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0.000000000000 0.000000000000 1.306596480000 0.000000000000 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 9.067687960000 3.411676890000 1.415016150000 0.587934860000 0.257530870000 0.470111190000 0.000000000000 0.000000000000 0.000000000000 1.341124420000 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 2.387017350000 1.160679920000 0.552898170000 0.790936130000 0.000000000000 0.000000000000 0.000000000000 1.391799840000 0.000000000000 0.000000000000 0.000000000000 0.105324690000 1.228847070000 1.000000000000 C:def2-QZVP-RI Weigend's auxiliary basis set 6 0 1 2 3 4 5 9 8 7 5 3 1 9 8 7 5 3 1 202.295000000000 51.331300000000 18.656300000000 9.757020000000 2.087420000000 1.364060000000 0.755212000000 0.393118000000 0.238355000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.486936110000 1.000000000000 C:def2-QZVPP-RI Weigend's auxiliary basis set 6 0 1 2 3 4 5 9 8 7 5 3 1 9 8 7 5 3 1 202.295000000000 51.331300000000 18.656300000000 9.757020000000 2.087420000000 1.364060000000 0.755212000000 0.393118000000 0.238355000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 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2.812776150000 1.349557580000 0.713256740000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.486936110000 1.000000000000 C:cc-pVDZ-RI-JK Weigend's Coulomb/exchange fitting basis set 4 0 1 2 3 10 7 5 2 10 7 5 2 1113.986771900000 369.162341800000 121.792752320000 48.127114540000 20.365074004000 8.088359685600 2.506865657000 1.243853738000 0.484498996010 0.191851602960 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 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9.836431817300 3.349054498000 1.494761861300 0.576901088990 0.203200632910 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 10.594068356000 3.599719536600 1.335569109400 0.519497649540 0.199541252000 1.000000000000 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 1.000000000000 102.991762490000 28.132594009000 9.836431817300 3.349054498000 1.494761861300 0.576901088990 0.203200632910 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 10.594068356000 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0.623710940500 0.781655079100 1.143060200000 1.000000000000 C: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 1861.091633100000 642.993976400000 235.110572500000 90.702889400000 36.779455200000 15.604627300000 6.890729400000 3.147885000000 1.477728700000 0.707646600000 0.343012200000 0.166945300000 0.074417100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.165395700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.557648400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.310829800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 2.169468100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.766884600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.293076900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.170870200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.164155300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.414994100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.162436600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.020767500000 13.547289200000 5.466941900000 2.175172100000 0.858219400000 0.337672000000 -0.020647700000 0.000000000000 0.000000000000 0.000000000000 -0.011528200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.045591400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002836000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.018187500000 5.928725300000 1.980920900000 0.805541700000 0.353124400000 -0.022594800000 0.000000000000 0.000000000000 -0.047682700000 0.000000000000 0.000000000000 0.000000000000 -0.036537200000 0.000000000000 0.000000000000 0.000000000000 -0.014541700000 1.675562600000 0.599753600000 0.008879800000 0.006990300000 1.002460000000 -0.002219200000 C: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 6.547563000000 1.807741000000 0.499106000000 0.073601000000 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 2.153659000000 1.018656000000 0.481813000000 0.227892000000 0.095295000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 8.107669000000 3.347320000000 1.381969000000 0.333056000000 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 2.652750000000 0.891821000000 0.301896000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.973489000000 1.000000000000 C: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 3.964205000000 1.350899000000 0.347160000000 0.071296000000 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 3.363437000000 1.079380000000 0.571981000000 0.180551000000 0.053629000000 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 4.948435000000 2.042078000000 0.499205000000 0.149738000000 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 3.489720000000 1.360408000000 0.506969000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.603084000000 0.583231000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 C: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 1.924328000000 0.432835000000 0.165868000000 0.062311000000 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 3.134944000000 1.221757000000 0.047059000000 0.151311000000 0.069085000000 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 3.110401000000 1.234971000000 0.339088000000 0.114693000000 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 3.452225000000 0.726248000000 0.314425000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.190809000000 0.675927000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 1.155657000000 1.000000000000 C:aug-cc-pV5Z-OPTRI Peterson's CABS RI basis set 7 0 1 2 3 4 5 6 4 5 4 3 3 2 1 4 5 4 3 3 2 1 4.500495000000 1.103587000000 0.384933000000 0.152658000000 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 4.160664000000 1.626163000000 0.678328000000 0.299745000000 0.121920000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 10.138089000000 5.244543000000 1.990505000000 0.754246000000 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 4.904034000000 1.255807000000 0.540840000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 3.524920000000 1.012792000000 0.114786000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.339630000000 0.391317000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 1.245967000000 1.000000000000 C: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 5.222730000000 2.160443000000 0.487073000000 0.074325000000 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 2.082292000000 0.574288000000 0.255889000000 0.080946000000 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 4.731509000000 1.753517000000 0.666600000000 0.155483000000 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 3.082340000000 1.078091000000 0.400462000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.042378000000 1.000000000000 C: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 1.776221000000 0.434830000000 0.170068000000 0.062864000000 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 3.544366000000 1.236476000000 0.433069000000 0.151019000000 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 5.314041000000 1.475516000000 0.451113000000 0.122335000000 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 3.649607000000 2.271211000000 0.653209000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.748891000000 0.675753000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 C: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 2.604413000000 1.013644000000 0.393415000000 0.152987000000 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 4.246533000000 1.821529000000 0.709380000000 0.291643000000 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 12.104929000000 2.132189000000 0.817333000000 0.313524000000 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 3.464527000000 0.961758000000 0.394736000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.833441000000 0.787286000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 1.228091000000 1.000000000000 C:cc-pVTZ-RI-JK-dual Csoka's dual auxiliary basis 4 0 1 2 3 10 6 4 1 10 7 5 2 780.208260386399 471.816530599118 519.136733368509 54.169363982533 18.272534091813 6.292583831106 2.882857586189 1.255811861901 0.470440522807 0.085059058423 1.000088259082 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0.000000000100 0.000000000100 1.000612259919 0.000000000100 0.000000000100 0.000000000100 0.000000000100 0.000000000100 0.000000000100 1.000006145828 0.000000000100 0.000000000100 0.000000000100 0.000000000100 0.000000000100 0.000000000100 12.766205741126 2.780122685812 1.400458941315 0.394141174737 0.230966262525 1.000276640257 0.000000000100 0.000000000100 0.000000000100 0.000000000100 1.000135494901 0.000000000100 0.000000000100 0.000000000100 0.000000000100 0.999918208535 0.000000000100 0.000000000100 0.000000000100 0.000000000100 1.001152788913 0.000000000100 0.000000000100 0.000000000100 0.000000000100 0.993672076108 0.444163118130 0.999955673664 0.000000000100 C:cc-pVQZ-RI-JK-dual Csoka's dual auxiliary basis 4 0 1 2 3 10 7 3 1 10 7 5 2 354384.107413041755 745.607842978928 323.651321007366 7.440205929814 53.815972530809 4.893917267162 3.045675193507 1.290522139736 0.676470022779 0.106511686084 1.000000000001 0.000000000001 0.000000000001 0.000000000001 0.000000000001 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