Po:cc-pVDZ-PP Peterson's correlation consistent ECP basis set 3 0 1 2 4 3 2 8 6 6 295.390000000000 21.268300000000 13.337900000000 7.365210000000 1.789200000000 0.884994000000 0.285787000000 0.109324000000 0.001383000000 0.000683000000 0.000000000000 0.000000000000 -0.105061000000 -0.038573000000 0.000000000000 0.000000000000 0.591425000000 0.251958000000 0.000000000000 0.000000000000 -1.115697000000 -0.533016000000 0.000000000000 0.000000000000 1.019162000000 0.766901000000 0.000000000000 0.000000000000 0.379879000000 0.281878000000 0.000000000000 0.000000000000 0.010781000000 -0.839477000000 1.000000000000 0.000000000000 -0.001144000000 -0.479272000000 0.000000000000 1.000000000000 11.506900000000 7.729910000000 2.118940000000 0.955323000000 0.268352000000 0.088494000000 0.166364000000 -0.055910000000 0.000000000000 -0.427235000000 0.151123000000 0.000000000000 0.696964000000 -0.326160000000 0.000000000000 0.471359000000 -0.161409000000 0.000000000000 0.029987000000 0.601615000000 0.000000000000 -0.003487000000 0.555972000000 1.000000000000 18.713000000000 7.057080000000 2.550620000000 1.250690000000 0.574256000000 0.233000000000 0.006694000000 0.000000000000 -0.067104000000 0.000000000000 0.325798000000 0.000000000000 0.495763000000 0.000000000000 0.293106000000 0.000000000000 0.054162000000 1.000000000000 Po:cc-pVTZ-PP Peterson's correlation consistent ECP basis set 4 0 1 2 3 5 4 3 1 12 11 8 1 2284.760000000000 345.774000000000 40.920400000000 25.577100000000 15.994200000000 6.793830000000 1.927090000000 0.997032000000 0.340350000000 0.161724000000 0.073536000000 0.087500000000 0.000236000000 0.000114000000 0.000000000000 0.000000000000 0.000000000000 0.001191000000 0.000679000000 0.000000000000 0.000000000000 0.000000000000 0.026896000000 0.007484000000 0.000000000000 0.000000000000 0.000000000000 -0.169909000000 -0.057831000000 0.000000000000 0.000000000000 0.000000000000 0.455449000000 0.184277000000 0.000000000000 0.000000000000 0.000000000000 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0.000000000000 0.127837000000 0.007100000000 0.000000000000 0.000000000000 0.005254000000 0.424629000000 0.000000000000 0.000000000000 0.002010000000 0.531974000000 0.000000000000 0.000000000000 -0.000132000000 0.197294000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 67.963600000000 14.988300000000 7.260740000000 2.710700000000 1.463830000000 0.755828000000 0.367176000000 0.148400000000 0.000499000000 0.000000000000 0.000000000000 0.010150000000 0.000000000000 0.000000000000 -0.071905000000 0.000000000000 0.000000000000 0.259436000000 0.000000000000 0.000000000000 0.432343000000 0.000000000000 0.000000000000 0.337581000000 0.000000000000 0.000000000000 0.127293000000 1.000000000000 0.000000000000 0.013505000000 0.000000000000 1.000000000000 0.325000000000 1.000000000000 Po:cc-pVQZ-PP Peterson's correlation consistent ECP basis set 5 0 1 2 3 4 6 6 4 2 1 14 11 11 2 1 8913.290000000001 1338.980000000000 299.538000000000 51.148900000000 23.015600000000 14.376500000000 8.982790000000 5.612920000000 2.164840000000 1.175380000000 0.544870000000 0.313216000000 0.151662000000 0.069997000000 0.000047000000 0.000025000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000331000000 0.000171000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001161000000 0.000635000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.007899000000 0.003461000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.149347000000 -0.067034000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.638242000000 0.307957000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.617083000000 -0.347524000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.605197000000 -0.256251000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.776086000000 0.503828000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.647336000000 0.573894000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.089592000000 -0.012305000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.009509000000 -0.612676000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.002531000000 -0.562362000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 -0.000397000000 -0.121941000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 113.557000000000 20.363900000000 12.727400000000 7.949840000000 4.964770000000 2.301300000000 1.195450000000 0.592897000000 0.273277000000 0.120434000000 0.051219000000 0.000387000000 -0.000133000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.018255000000 0.005680000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.174776000000 -0.061167000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.398703000000 0.153244000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.031812000000 -0.007400000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.566047000000 -0.234838000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.510222000000 -0.254839000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.124381000000 0.050473000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006006000000 0.453372000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.001254000000 0.501835000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 -0.000028000000 0.170255000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 183.447000000000 54.113300000000 14.975800000000 6.923600000000 3.798590000000 2.304040000000 1.305540000000 0.727096000000 0.403294000000 0.230651000000 0.109300000000 0.000072000000 0.000000000000 0.000000000000 0.000000000000 0.000556000000 0.000000000000 0.000000000000 0.000000000000 0.009208000000 0.000000000000 0.000000000000 0.000000000000 -0.082818000000 0.000000000000 0.000000000000 0.000000000000 0.064756000000 0.000000000000 0.000000000000 0.000000000000 0.300241000000 0.000000000000 0.000000000000 0.000000000000 0.388436000000 0.000000000000 0.000000000000 0.000000000000 0.280892000000 0.000000000000 0.000000000000 0.000000000000 0.114268000000 1.000000000000 0.000000000000 0.000000000000 0.029487000000 0.000000000000 1.000000000000 0.000000000000 0.003759000000 0.000000000000 0.000000000000 1.000000000000 0.489400000000 0.200200000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 0.407400000000 1.000000000000 Po:cc-pV5Z-PP Peterson's correlation consistent ECP basis set 6 0 1 2 3 4 5 7 7 5 3 2 1 16 13 12 3 2 1 24093.400000000001 3632.170000000000 822.308000000000 227.472000000000 38.386800000000 23.939600000000 14.792600000000 9.239310000000 5.575940000000 3.254120000000 1.834710000000 1.010630000000 0.470211000000 0.260621000000 0.132139000000 0.063182000000 0.000014000000 -0.000007000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000103000000 -0.000055000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000469000000 -0.000243000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001210000000 -0.000668000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.022496000000 -0.009613000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.176837000000 0.078680000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.626292000000 -0.300917000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.534690000000 0.302188000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.730218000000 0.326316000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.230546000000 -0.133862000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.840439000000 -0.583676000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.460155000000 -0.447590000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.045317000000 0.212682000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.004816000000 0.614124000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.001453000000 0.451913000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 -0.000224000000 0.080894000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 300.327000000000 59.938400000000 21.081100000000 13.168800000000 8.224090000000 5.136900000000 2.602920000000 1.446530000000 0.778343000000 0.378554000000 0.185040000000 0.088492000000 0.041274000000 0.000098000000 -0.000039000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000623000000 0.354254000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 -0.000014000000 0.083069000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 174.444000000000 52.223300000000 14.597000000000 7.059370000000 4.357070000000 2.718440000000 1.650110000000 0.985852000000 0.572536000000 0.323631000000 0.185222000000 0.091500000000 0.000079000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000580000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.010039000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.080095000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.019962000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.216742000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.335428000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.319853000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.199005000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.071136000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.014390000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.001729000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.591200000000 0.306300000000 0.158700000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.580000000000 0.273800000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 0.507000000000 1.000000000000 Po:aug-cc-pVDZ-PP Peterson's correlation consistent ECP basis set 3 0 1 2 5 4 3 9 7 7 295.390000000000 21.268300000000 13.337900000000 7.365210000000 1.789200000000 0.884994000000 0.285787000000 0.109324000000 0.035900000000 0.001383000000 0.000683000000 0.000000000000 0.000000000000 0.000000000000 -0.105061000000 -0.038573000000 0.000000000000 0.000000000000 0.000000000000 0.591425000000 0.251958000000 0.000000000000 0.000000000000 0.000000000000 -1.115697000000 -0.533016000000 0.000000000000 0.000000000000 0.000000000000 1.019162000000 0.766901000000 0.000000000000 0.000000000000 0.000000000000 0.379879000000 0.281878000000 0.000000000000 0.000000000000 0.000000000000 0.010781000000 -0.839477000000 1.000000000000 0.000000000000 0.000000000000 -0.001144000000 -0.479272000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 11.506900000000 7.729910000000 2.118940000000 0.955323000000 0.268352000000 0.088494000000 0.027800000000 0.166364000000 -0.055910000000 0.000000000000 0.000000000000 -0.427235000000 0.151123000000 0.000000000000 0.000000000000 0.696964000000 -0.326160000000 0.000000000000 0.000000000000 0.471359000000 -0.161409000000 0.000000000000 0.000000000000 0.029987000000 0.601615000000 0.000000000000 0.000000000000 -0.003487000000 0.555972000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 18.713000000000 7.057080000000 2.550620000000 1.250690000000 0.574256000000 0.233000000000 0.089500000000 0.006694000000 0.000000000000 0.000000000000 -0.067104000000 0.000000000000 0.000000000000 0.325798000000 0.000000000000 0.000000000000 0.495763000000 0.000000000000 0.000000000000 0.293106000000 0.000000000000 0.000000000000 0.054162000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 Po:aug-cc-pVTZ-PP Peterson's correlation consistent ECP basis set 4 0 1 2 3 6 5 4 2 13 12 9 2 2284.760000000000 345.774000000000 40.920400000000 25.577100000000 15.994200000000 6.793830000000 1.927090000000 0.997032000000 0.340350000000 0.161724000000 0.073536000000 0.087500000000 0.033900000000 0.000236000000 0.000114000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001191000000 0.000679000000 0.000000000000 0.000000000000 0.000000000000 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1.000000000000 19.771400000000 12.392100000000 7.774070000000 2.291310000000 1.205940000000 0.594611000000 0.298645000000 0.129742000000 0.053935000000 0.495300000000 0.079700000000 0.031000000000 -0.014491000000 0.002105000000 0.000000000000 0.000000000000 0.000000000000 0.173269000000 -0.050849000000 0.000000000000 0.000000000000 0.000000000000 -0.424167000000 0.143289000000 0.000000000000 0.000000000000 0.000000000000 0.552409000000 -0.247041000000 0.000000000000 0.000000000000 0.000000000000 0.512089000000 -0.232235000000 0.000000000000 0.000000000000 0.000000000000 0.127837000000 0.007100000000 0.000000000000 0.000000000000 0.000000000000 0.005254000000 0.424629000000 0.000000000000 0.000000000000 0.000000000000 0.002010000000 0.531974000000 0.000000000000 0.000000000000 0.000000000000 -0.000132000000 0.197294000000 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 67.963600000000 14.988300000000 7.260740000000 2.710700000000 1.463830000000 0.755828000000 0.367176000000 0.148400000000 0.057800000000 0.000499000000 0.000000000000 0.000000000000 0.000000000000 0.010150000000 0.000000000000 0.000000000000 0.000000000000 -0.071905000000 0.000000000000 0.000000000000 0.000000000000 0.259436000000 0.000000000000 0.000000000000 0.000000000000 0.432343000000 0.000000000000 0.000000000000 0.000000000000 0.337581000000 0.000000000000 0.000000000000 0.000000000000 0.127293000000 1.000000000000 0.000000000000 0.000000000000 0.013505000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.325000000000 0.132200000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 Po:aug-cc-pVQZ-PP Peterson's correlation consistent ECP basis set 5 0 1 2 3 4 7 7 5 3 2 15 12 12 3 2 8913.290000000001 1338.980000000000 299.538000000000 51.148900000000 23.015600000000 14.376500000000 8.982790000000 5.612920000000 2.164840000000 1.175380000000 0.544870000000 0.313216000000 0.151662000000 0.069997000000 0.027400000000 0.000047000000 0.000025000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000331000000 0.000171000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001161000000 0.000635000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.007899000000 0.003461000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.149347000000 -0.067034000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.638242000000 0.307957000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.617083000000 -0.347524000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.605197000000 -0.256251000000 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0.000000000000 1.000000000000 0.000000000000 0.000000000000 -0.000028000000 0.170255000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 183.447000000000 54.113300000000 14.975800000000 6.923600000000 3.798590000000 2.304040000000 1.305540000000 0.727096000000 0.403294000000 0.230651000000 0.109300000000 0.048700000000 0.000072000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000556000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.009208000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.082818000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.064756000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.300241000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.388436000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.280892000000 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52.223300000000 14.597000000000 7.059370000000 4.357070000000 2.718440000000 1.650110000000 0.985852000000 0.572536000000 0.323631000000 0.185222000000 0.091500000000 0.041500000000 0.000079000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000580000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.010039000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.080095000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.019962000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.216742000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.335428000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.319853000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.199005000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.071136000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.014390000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.001729000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.591200000000 0.306300000000 0.158700000000 0.071700000000 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 0.580000000000 0.273800000000 0.132300000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.507000000000 0.283100000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 Po:aug-cc-pwCVDZ-PP Peterson's correlation consistent ECP basis set 4 0 1 2 3 6 5 4 1 10 8 8 1 295.390000000000 21.268300000000 13.337900000000 7.365210000000 1.789200000000 0.884994000000 0.840300000000 0.285787000000 0.109324000000 0.035900000000 0.001383000000 0.000000000000 0.000000000000 0.000683000000 0.000000000000 0.000000000000 -0.105061000000 0.000000000000 0.000000000000 -0.038573000000 0.000000000000 0.000000000000 0.591425000000 0.000000000000 0.000000000000 0.251958000000 0.000000000000 0.000000000000 -1.115697000000 0.000000000000 0.000000000000 -0.533016000000 0.000000000000 0.000000000000 1.019162000000 0.000000000000 0.000000000000 0.766901000000 0.000000000000 0.000000000000 0.379879000000 0.000000000000 0.000000000000 0.281878000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.010781000000 0.000000000000 1.000000000000 -0.839477000000 0.000000000000 0.000000000000 -0.001144000000 0.000000000000 0.000000000000 -0.479272000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 11.506900000000 7.729910000000 2.118940000000 0.955323000000 0.619100000000 0.268352000000 0.088494000000 0.027800000000 0.166364000000 0.000000000000 -0.055910000000 0.000000000000 0.000000000000 -0.427235000000 0.000000000000 0.151123000000 0.000000000000 0.000000000000 0.696964000000 0.000000000000 -0.326160000000 0.000000000000 0.000000000000 0.471359000000 0.000000000000 -0.161409000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.029987000000 0.000000000000 0.601615000000 0.000000000000 0.000000000000 -0.003487000000 0.000000000000 0.555972000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 18.713000000000 7.057080000000 2.550620000000 1.250690000000 0.677200000000 0.574256000000 0.233000000000 0.089500000000 0.006694000000 0.000000000000 0.000000000000 0.000000000000 -0.067104000000 0.000000000000 0.000000000000 0.000000000000 0.325798000000 0.000000000000 0.000000000000 0.000000000000 0.495763000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.293106000000 0.000000000000 0.000000000000 0.000000000000 0.054162000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.140400000000 1.000000000000 Po:aug-cc-pwCVTZ-PP Peterson's correlation consistent ECP basis set 5 0 1 2 3 4 8 7 6 4 1 15 14 11 4 1 2284.760000000000 345.774000000000 40.920400000000 25.577100000000 15.994200000000 6.793830000000 1.927090000000 1.715700000000 1.076200000000 0.997032000000 0.340350000000 0.161724000000 0.087500000000 0.073536000000 0.033900000000 0.000000000000 0.000000000000 0.000236000000 0.000000000000 0.000000000000 0.000114000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001191000000 0.000000000000 0.000000000000 0.000679000000 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0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.337581000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.127293000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.013505000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.492800000000 0.933100000000 0.325000000000 0.132200000000 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 1.115800000000 1.000000000000 Po:aug-cc-pwCVQZ-PP Peterson's correlation consistent ECP basis set 6 0 1 2 3 4 5 10 10 8 6 4 1 18 15 15 6 4 1 8913.290000000001 1338.980000000000 299.538000000000 51.148900000000 23.015600000000 14.376500000000 8.982790000000 6.030400000000 5.612920000000 2.923100000000 2.164840000000 1.416900000000 1.175380000000 0.544870000000 0.313216000000 0.151662000000 0.069997000000 0.027400000000 0.000000000000 0.000000000000 0.000000000000 0.000047000000 0.000000000000 0.000000000000 0.000000000000 0.000025000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000331000000 0.000000000000 0.000000000000 0.000000000000 0.000171000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001161000000 0.000000000000 0.000000000000 0.000000000000 0.000635000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.007899000000 0.000000000000 0.000000000000 0.000000000000 0.003461000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.149347000000 0.000000000000 0.000000000000 0.000000000000 -0.067034000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 174.444000000000 52.223300000000 14.597000000000 7.380800000000 7.059370000000 4.357070000000 4.101800000000 2.718440000000 2.279500000000 1.650110000000 1.266800000000 0.985852000000 0.572536000000 0.323631000000 0.185222000000 0.091500000000 0.041500000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000079000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000580000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.010039000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.319853000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.199005000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.071136000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.014390000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001729000000 0.000000000000 0.000000000000 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 5.826900000000 3.448400000000 2.040700000000 1.207700000000 0.591200000000 0.306300000000 0.158700000000 0.071700000000 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 4.612600000000 2.410700000000 1.259900000000 0.580000000000 0.273800000000 0.132300000000 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 4.051800000000 1.337000000000 0.507000000000 0.283100000000 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 1.328100000000 1.000000000000 Po:def2-SV(P) Weigend and Ahlrichs' Gaussian basis set 3 0 1 2 4 4 2 10 7 6 278.137839160000 19.659291105000 15.016229647000 7.114997872000 1.787921412200 0.940216552060 8.758416174900 1.650394586600 0.263295821330 0.101906543040 0.000916904978 0.000000000000 0.000000000000 0.000000000000 -0.147130092830 0.000000000000 0.000000000000 0.000000000000 0.387904136310 0.000000000000 0.000000000000 0.000000000000 -0.670599662980 0.000000000000 0.000000000000 0.000000000000 0.912129283270 0.000000000000 0.000000000000 0.000000000000 0.291537552000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.021561417525 0.000000000000 0.000000000000 0.000000000000 0.316389900010 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 10.445945973000 8.029310188800 1.358879802300 0.668291829290 2.446063538700 0.272429427770 0.088796031338 0.236318414050 0.000000000000 0.000000000000 0.000000000000 -0.450178189960 0.000000000000 0.000000000000 0.000000000000 0.441603346580 0.000000000000 0.000000000000 0.000000000000 0.145752855440 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 18.292670150000 7.169557853900 2.502922518000 1.211594544300 0.547133342400 0.215000000000 0.007203096365 0.000000000000 -0.066160544754 0.000000000000 0.343634493780 0.000000000000 0.505291010330 0.000000000000 0.283011554530 0.000000000000 0.000000000000 1.000000000000 Po:def2-SVP Weigend and Ahlrichs' Gaussian basis set 3 0 1 2 4 4 2 10 7 6 278.137839160000 19.659291105000 15.016229647000 7.114997872000 1.787921412200 0.940216552060 8.758416174900 1.650394586600 0.263295821330 0.101906543040 0.000916904978 0.000000000000 0.000000000000 0.000000000000 -0.147130092830 0.000000000000 0.000000000000 0.000000000000 0.387904136310 0.000000000000 0.000000000000 0.000000000000 -0.670599662980 0.000000000000 0.000000000000 0.000000000000 0.912129283270 0.000000000000 0.000000000000 0.000000000000 0.291537552000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.021561417525 0.000000000000 0.000000000000 0.000000000000 0.316389900010 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 10.445945973000 8.029310188800 1.358879802300 0.668291829290 2.446063538700 0.272429427770 0.088796031338 0.236318414050 0.000000000000 0.000000000000 0.000000000000 -0.450178189960 0.000000000000 0.000000000000 0.000000000000 0.441603346580 0.000000000000 0.000000000000 0.000000000000 0.145752855440 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 18.292670150000 7.169557853900 2.502922518000 1.211594544300 0.547133342400 0.215000000000 0.007203096365 0.000000000000 -0.066160544754 0.000000000000 0.343634493780 0.000000000000 0.505291010330 0.000000000000 0.283011554530 0.000000000000 0.000000000000 1.000000000000 Po:def2-TZVP Weigend and Ahlrichs' Gaussian basis set 4 0 1 2 3 6 5 3 2 11 10 8 2 6744.821176500000 744.418925320000 131.040293090000 19.662021030000 16.623025609000 23.094002965000 6.970739838100 1.849737759300 0.930829992630 0.286730264620 0.109792121690 0.000076891556 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000712848274 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002205758396 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.643647137440 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.919971505460 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.070404410177 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.978865400860 0.000000000000 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 253.990244970000 9.871271874800 7.448989349600 8.902739540700 5.741466746500 1.989632982300 0.947032108220 0.370711362800 0.155547060860 0.061173720818 0.000083876362 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.245727104580 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.442977636610 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.137982504450 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.263040053260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.662258461610 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.395470518920 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 67.943077046000 14.914219894000 7.297394830500 2.682678440000 1.437414300900 0.739037974170 0.358381532810 0.150000000000 0.000489191253 0.000000000000 0.000000000000 0.010157120776 0.000000000000 0.000000000000 -0.069943263066 0.000000000000 0.000000000000 0.262447306800 0.000000000000 0.000000000000 0.427023614940 0.000000000000 0.000000000000 0.325024354770 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.332750000000 1.400000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 Po:def2-TZVPP Weigend and Ahlrichs' Gaussian basis set 4 0 1 2 3 6 5 3 2 11 10 8 2 6744.821176500000 744.418925320000 131.040293090000 19.662021030000 16.623025609000 23.094002965000 6.970739838100 1.849737759300 0.930829992630 0.286730264620 0.109792121690 0.000076891556 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000712848274 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002205758396 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.643647137440 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.919971505460 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.070404410177 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.978865400860 0.000000000000 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 253.990244970000 9.871271874800 7.448989349600 8.902739540700 5.741466746500 1.989632982300 0.947032108220 0.370711362800 0.155547060860 0.061173720818 0.000083876362 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.245727104580 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.442977636610 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.137982504450 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.263040053260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.662258461610 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.395470518920 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 67.943077046000 14.914219894000 7.297394830500 2.682678440000 1.437414300900 0.739037974170 0.358381532810 0.150000000000 0.000489191253 0.000000000000 0.000000000000 0.010157120776 0.000000000000 0.000000000000 -0.069943263066 0.000000000000 0.000000000000 0.262447306800 0.000000000000 0.000000000000 0.427023614940 0.000000000000 0.000000000000 0.325024354770 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.332750000000 1.400000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 Po:def2-QZVP Weigend and Ahlrichs' Gaussian basis set 5 0 1 2 3 4 7 6 4 4 1 17 14 10 4 1 8913.290000000001 1338.980000000000 299.538000000000 51.148900000000 23.015600000000 14.376500000000 8.982790000000 5.612920000000 2.164840000000 1.175380000000 14.787766907000 11.958781204000 2.479845506600 0.554814777920 0.285817351980 0.138494394680 0.064954523837 0.000047000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000331000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001161000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.007899000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.149347000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.638242000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.617083000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.605197000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.776086000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.159290331290 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.273101669850 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.524236987260 0.000000000000 0.000000000000 0.000000000000 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 113.557000000000 20.363900000000 12.727400000000 7.949840000000 4.964770000000 2.301300000000 1.195450000000 8.468130000000 7.796201700000 0.668717580000 0.591524239270 0.244448437950 0.110189224600 0.048149776000 0.000387000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.018255000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.174776000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.398703000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.031812000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.566047000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.510222000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.238537620000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.285791190000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.460506560000 0.000000000000 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 73.649818245000 16.743441686000 5.816304881200 5.649375717300 2.454768610600 1.390901559300 0.789345055720 0.441076485490 0.236312488100 0.109300000000 0.000433103346 0.000000000000 0.000000000000 0.000000000000 0.006943696859 0.000000000000 0.000000000000 0.000000000000 -0.837992403871 0.000000000000 0.000000000000 0.000000000000 0.793721834161 0.000000000000 0.000000000000 0.000000000000 0.290555492512 0.000000000000 0.000000000000 0.000000000000 0.381779206697 0.000000000000 0.000000000000 0.000000000000 0.293429542075 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 0.489400000000 0.200200000000 1.312200000000 2.822065871400 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 0.407400000000 1.000000000000 Po:def2-QZVPP Weigend and Ahlrichs' Gaussian basis set 5 0 1 2 3 4 7 6 4 4 1 17 14 10 4 1 8913.290000000001 1338.980000000000 299.538000000000 51.148900000000 23.015600000000 14.376500000000 8.982790000000 5.612920000000 2.164840000000 1.175380000000 14.787766907000 11.958781204000 2.479845506600 0.554814777920 0.285817351980 0.138494394680 0.064954523837 0.000047000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000331000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001161000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.007899000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.149347000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.638242000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.617083000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.605197000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.776086000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.159290331290 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.273101669850 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.524236987260 0.000000000000 0.000000000000 0.000000000000 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 113.557000000000 20.363900000000 12.727400000000 7.949840000000 4.964770000000 2.301300000000 1.195450000000 8.468130000000 7.796201700000 0.668717580000 0.591524239270 0.244448437950 0.110189224600 0.048149776000 0.000387000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.018255000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.174776000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.398703000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.031812000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.566047000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.510222000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.238537620000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.285791190000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.460506560000 0.000000000000 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 73.649818245000 16.743441686000 5.816304881200 5.649375717300 2.454768610600 1.390901559300 0.789345055720 0.441076485490 0.236312488100 0.109300000000 0.000433103346 0.000000000000 0.000000000000 0.000000000000 0.006943696859 0.000000000000 0.000000000000 0.000000000000 -0.837992403871 0.000000000000 0.000000000000 0.000000000000 0.793721834161 0.000000000000 0.000000000000 0.000000000000 0.290555492512 0.000000000000 0.000000000000 0.000000000000 0.381779206697 0.000000000000 0.000000000000 0.000000000000 0.293429542075 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 0.489400000000 0.200200000000 1.312200000000 2.822065871400 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 0.407400000000 1.000000000000 Po:def2-SVPD Weigend and Ahlrichs' Gaussian basis set 3 0 1 2 5 5 3 11 8 7 278.137839160000 19.659291105000 15.016229647000 7.114997872000 1.787921412200 0.940216552060 8.758416174900 1.650394586600 0.263295821330 0.101906543040 0.036854928339 0.000916904978 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.147130092830 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.387904136310 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.670599662980 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.912129283270 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.291537552000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.021561417525 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.316389900010 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 10.445945973000 8.029310188800 1.358879802300 0.668291829290 2.446063538700 0.272429427770 0.088796031338 0.024278917089 0.236318414050 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.450178189960 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.441603346580 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.145752855440 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 18.292670150000 7.169557853900 2.502922518000 1.211594544300 0.547133342400 0.215000000000 0.060680939679 0.007203096365 0.000000000000 0.000000000000 -0.066160544754 0.000000000000 0.000000000000 0.343634493780 0.000000000000 0.000000000000 0.505291010330 0.000000000000 0.000000000000 0.283011554530 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 Po:def2-TZVPD Weigend and Ahlrichs' Gaussian basis set 4 0 1 2 3 7 6 4 2 12 11 9 2 6744.821176500000 744.418925320000 131.040293090000 19.662021030000 16.623025609000 23.094002965000 6.970739838100 1.849737759300 0.930829992630 0.286730264620 0.109792121690 0.035812540416 0.000076891556 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000712848274 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002205758396 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.643647137440 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.919971505460 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.070404410177 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.978865400860 0.000000000000 0.000000000000 0.000000000000 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 253.990244970000 9.871271874800 7.448989349600 8.902739540700 5.741466746500 1.989632982300 0.947032108220 0.370711362800 0.155547060860 0.061173720818 0.019437729576 0.000083876362 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.245727104580 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.442977636610 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.137982504450 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.263040053260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.662258461610 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.395470518920 0.000000000000 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 67.943077046000 14.914219894000 7.297394830500 2.682678440000 1.437414300900 0.739037974170 0.358381532810 0.150000000000 0.051710661379 0.000489191253 0.000000000000 0.000000000000 0.000000000000 0.010157120776 0.000000000000 0.000000000000 0.000000000000 -0.069943263066 0.000000000000 0.000000000000 0.000000000000 0.262447306800 0.000000000000 0.000000000000 0.000000000000 0.427023614940 0.000000000000 0.000000000000 0.000000000000 0.325024354770 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 0.332750000000 1.400000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 Po:def2-TZVPPD Weigend and Ahlrichs' Gaussian basis set 4 0 1 2 3 7 6 4 2 12 11 9 2 6744.821176500000 744.418925320000 131.040293090000 19.662021030000 16.623025609000 23.094002965000 6.970739838100 1.849737759300 0.930829992630 0.286730264620 0.109792121690 0.035812540416 0.000076891556 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000712848274 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002205758396 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.643647137440 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.919971505460 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.070404410177 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.978865400860 0.000000000000 0.000000000000 0.000000000000 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 253.990244970000 9.871271874800 7.448989349600 8.902739540700 5.741466746500 1.989632982300 0.947032108220 0.370711362800 0.155547060860 0.061173720818 0.019437729576 0.000083876362 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.245727104580 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.442977636610 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.137982504450 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.263040053260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.662258461610 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.395470518920 0.000000000000 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 67.943077046000 14.914219894000 7.297394830500 2.682678440000 1.437414300900 0.739037974170 0.358381532810 0.150000000000 0.051710661379 0.000489191253 0.000000000000 0.000000000000 0.000000000000 0.010157120776 0.000000000000 0.000000000000 0.000000000000 -0.069943263066 0.000000000000 0.000000000000 0.000000000000 0.262447306800 0.000000000000 0.000000000000 0.000000000000 0.427023614940 0.000000000000 0.000000000000 0.000000000000 0.325024354770 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 0.332750000000 1.400000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 Po:def2-QZVPD Weigend and Ahlrichs' Gaussian basis set 5 0 1 2 3 4 8 7 5 4 1 18 15 11 4 1 8913.290000000001 1338.980000000000 299.538000000000 51.148900000000 23.015600000000 14.376500000000 8.982790000000 5.612920000000 2.164840000000 1.175380000000 14.787766907000 11.958781204000 2.479845506600 0.554814777920 0.285817351980 0.138494394680 0.064954523837 0.029031304745 0.000047000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000331000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001161000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.007899000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.149347000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.638242000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.617083000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.605197000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.776086000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.159290331290 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.273101669850 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.524236987260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 113.557000000000 20.363900000000 12.727400000000 7.949840000000 4.964770000000 2.301300000000 1.195450000000 8.468130000000 7.796201700000 0.668717580000 0.591524239270 0.244448437950 0.110189224600 0.048149776000 0.016630967796 0.000387000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.018255000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.174776000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.398703000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.031812000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.566047000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.510222000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.238537620000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.285791190000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.460506560000 0.000000000000 0.000000000000 0.000000000000 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 73.649818245000 16.743441686000 5.816304881200 5.649375717300 2.454768610600 1.390901559300 0.789345055720 0.441076485490 0.236312488100 0.109300000000 0.043600758103 0.000433103346 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006943696859 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.837992403871 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.793721834161 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.290555492512 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.381779206697 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.293429542075 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 0.489400000000 0.200200000000 1.312200000000 2.822065871400 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 0.407400000000 1.000000000000 Po:def2-QZVPPD Weigend and Ahlrichs' Gaussian basis set 5 0 1 2 3 4 8 7 5 4 1 18 15 11 4 1 8913.290000000001 1338.980000000000 299.538000000000 51.148900000000 23.015600000000 14.376500000000 8.982790000000 5.612920000000 2.164840000000 1.175380000000 14.787766907000 11.958781204000 2.479845506600 0.554814777920 0.285817351980 0.138494394680 0.064954523837 0.029031304745 0.000047000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000331000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001161000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.007899000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.149347000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.638242000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.617083000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.605197000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.776086000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.159290331290 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.273101669850 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.524236987260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 113.557000000000 20.363900000000 12.727400000000 7.949840000000 4.964770000000 2.301300000000 1.195450000000 8.468130000000 7.796201700000 0.668717580000 0.591524239270 0.244448437950 0.110189224600 0.048149776000 0.016630967796 0.000387000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.018255000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.174776000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.398703000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.031812000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.566047000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.510222000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.238537620000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.285791190000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.460506560000 0.000000000000 0.000000000000 0.000000000000 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 73.649818245000 16.743441686000 5.816304881200 5.649375717300 2.454768610600 1.390901559300 0.789345055720 0.441076485490 0.236312488100 0.109300000000 0.043600758103 0.000433103346 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006943696859 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.837992403871 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.793721834161 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.290555492512 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.381779206697 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.293429542075 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 0.489400000000 0.200200000000 1.312200000000 2.822065871400 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 0.407400000000 1.000000000000 Po:cc-pVDZ-PP-RI Hattig's auxiliary basis set 5 0 1 2 3 4 7 6 5 3 2 7 6 5 3 2 9.026860000000 5.843230000000 3.409140000000 1.641800000000 0.581752000000 0.272704000000 0.167058000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 4.201950000000 3.333560000000 2.180420000000 0.877385000000 0.394521000000 0.230613000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 6.079210000000 3.016410000000 1.709460000000 0.449840000000 0.212181000000 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 3.176680000000 1.253760000000 0.387066000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 3.443810000000 0.720320000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 Po:cc-pVTZ-PP-RI Hattig's auxiliary basis set 6 0 1 2 3 4 5 8 8 7 5 3 2 8 8 7 5 3 2 7.202230000000 5.254290000000 3.487990000000 2.318200000000 0.959237000000 0.556344000000 0.310707000000 0.136517000000 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 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1.000000000000 3.359520000000 1.999160000000 0.918696000000 0.617233000000 0.315814000000 0.147854000000 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 2.202120000000 1.104300000000 0.564821000000 0.278886000000 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 1.728000000000 0.852001000000 0.418945000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 Po:aug-cc-pV5Z-PP-RI Hattig's auxiliary basis set 8 0 1 2 3 4 5 6 7 14 13 12 10 8 6 4 2 14 13 12 10 8 6 4 2 44.676400000000 29.959900000000 17.231000000000 9.013220000000 6.193200000000 3.294210000000 1.792700000000 1.055430000000 0.658595000000 0.410335000000 0.293386000000 0.158378000000 0.082897100000 0.031459100000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 24.295500000000 12.995400000000 8.620270000000 4.260800000000 2.628200000000 1.406110000000 0.815503000000 0.525813000000 0.343676000000 0.188333000000 0.095618500000 0.044041300000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 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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0.000000000000 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 8.789990000000 4.349750000000 2.573810000000 1.458150000000 0.768297000000 0.474542000000 0.253255000000 0.125763000000 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 5.397430000000 2.260830000000 1.214510000000 0.727813000000 0.401165000000 0.201264000000 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 2.511800000000 1.282030000000 0.670953000000 0.364294000000 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 1.250700000000 0.905051000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 Po:def2-SV(P)-RI Weigend's auxiliary basis set 5 0 1 2 3 4 9 8 7 5 2 9 8 7 5 2 15.726300000000 9.855530000000 7.270120000000 4.612340000000 1.973620000000 0.895338000000 0.487312000000 0.236816000000 0.168049000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 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0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 12.122200000000 6.998950000000 4.642640000000 2.020220000000 1.084160000000 0.451856000000 0.194258000000 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 5.457710000000 4.119490000000 1.732250000000 0.867110000000 0.359292000000 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 3.384980000000 0.710870000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 Po:def2-SVP-RI Weigend's auxiliary basis set 5 0 1 2 3 4 9 8 7 5 2 9 8 7 5 2 15.726300000000 9.855530000000 7.270120000000 4.612340000000 1.973620000000 0.895338000000 0.487312000000 0.236816000000 0.168049000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 3.384980000000 0.710870000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 Po:def2-TZVP-RI Weigend's auxiliary basis set 6 0 1 2 3 4 5 9 8 8 6 4 3 9 8 8 6 4 3 15.820900000000 10.007200000000 7.464910000000 4.853590000000 2.200770000000 1.048820000000 0.538192000000 0.193060000000 0.125436000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 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15.820900000000 10.007200000000 7.464910000000 4.853590000000 2.200770000000 1.048820000000 0.538192000000 0.193060000000 0.125436000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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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 1.000000000000 4.468420000000 2.523960000000 1.202480000000 0.567366000000 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 2.360420000000 0.987606000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 Po:def2-QZVPP-RI Weigend's auxiliary basis set 7 0 1 2 3 4 5 6 10 10 9 8 6 4 2 10 10 9 8 6 4 2 9.604560000000 7.802020000000 6.044040000000 4.059350000000 1.623090000000 0.959390000000 0.678257000000 0.191167000000 0.322132000000 0.095106000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 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10.613900000000 6.375670000000 4.425610000000 2.682440000000 1.209520000000 0.720125000000 0.426979000000 0.237004000000 0.113446000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 58.645340300000 32.569635800000 18.088409900000 10.046045100000 5.579512500000 3.098866900000 1.721132400000 0.955937400000 0.530942700000 0.294895400000 0.163790800000 0.090972800000 0.211639264200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.977347851000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 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0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 95.189976500000 40.129569300000 17.518241400000 7.884322400000 3.640711600000 1.715857200000 0.820779900000 0.396176900000 0.191807300000 0.022346781400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.052084722600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.003517655200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.998386412700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 14.728223700000 7.013631800000 3.831088500000 1.896768700000 0.804675500000 0.403734200000 0.019397231800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.121192507300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.992439481100 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 3.261576308100 1.446318118800 0.641357400000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.810291100000 1.000000000000 Po:def2-QZVPP-RI-J Weigend's Coulomb fitting basis set 5 0 1 2 3 4 8 4 3 2 1 11 5 5 3 1 31.317558900000 19.125142200000 11.534161800000 7.060290700000 4.153112100000 2.443007000000 1.437062900000 0.780529400000 0.332986900000 0.172060100000 0.101211800000 0.760823500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -4.972562500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 14.671018200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -16.700760600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -1.013400900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 8.140626600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.638556900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.879602800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.558148100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.131008300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.019539300000 5.076370300000 1.863770600000 0.674665900000 0.242181300000 0.086693100000 0.024060300000 0.000000000000 0.000000000000 0.000000000000 -0.050436400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.042980100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002804900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000069400000 3.163652700000 1.343870000000 0.562837200000 0.233756600000 0.096813700000 0.014484000000 0.000000000000 0.000000000000 -0.017157100000 0.000000000000 0.000000000000 0.014938000000 0.000000000000 0.000000000000 0.000000000000 0.015191600000 0.000000000000 0.000000000000 0.000000000000 0.001463100000 1.589102000000 0.831451300000 0.434590000000 0.002356300000 0.000000000000 -0.005919100000 0.000000000000 0.000000000000 0.006973900000 0.684191700000 -0.003458100000 Po:def2-ECP-60 Stuttgart-Koeln ECP * NCORE = 60 LMAX =3 f-ul 17.428295000000 2 5.013270000000 23.380353000000 2 4.984640000000 0.163392000000 2 1.326760000000 0.324566000000 2 1.528758000000 s-ul 283.244706000000 2 13.277227000000 62.396461000000 2 8.399518000000 -17.428295000000 2 5.013270000000 -23.380353000000 2 4.984640000000 -0.163392000000 2 1.326760000000 -0.324566000000 2 1.528758000000 p-ul 71.991716000000 2 10.665682000000 143.971871000000 2 9.283753000000 4.949615000000 2 6.872749000000 9.740499000000 2 6.326150000000 -17.428295000000 2 5.013270000000 -23.380353000000 2 4.984640000000 -0.163392000000 2 1.326760000000 -0.324566000000 2 1.528758000000 d-ul 36.378383000000 2 8.214866000000 54.562715000000 2 8.008696000000 9.889499000000 2 5.055227000000 14.693877000000 2 4.782553000000 -17.428295000000 2 5.013270000000 -23.380353000000 2 4.984640000000 -0.163392000000 2 1.326760000000 -0.324566000000 2 1.528758000000 * Po:MCDHF-ECP-60 Stuttgart-Koeln MCDFH ECP * NCORE = 60 LMAX =5 h-ul 0.000000000000 2 1.000000000000 s-ul 283.244706000000 2 13.277227000000 62.396461000000 2 8.399518000000 p-ul 71.991716000000 2 10.665682000000 143.971871000000 2 9.283753000000 4.949615000000 2 6.872749000000 9.740499000000 2 6.326150000000 d-ul 36.378383000000 2 8.214866000000 54.562715000000 2 8.008696000000 9.889499000000 2 5.055227000000 14.693877000000 2 4.782553000000 f-ul 17.428295000000 2 5.013270000000 23.380353000000 2 4.984640000000 0.163392000000 2 1.326760000000 0.324566000000 2 1.528758000000 g-ul -11.563294000000 2 6.771526000000 -14.509788000000 2 6.777925000000 *