B:cc-pVDZ Dunning's correlation consistent basis set 3 0 1 2 3 2 1 9 4 1 4570.000000000000 685.900000000000 156.500000000000 44.470000000000 14.480000000000 5.131000000000 1.898000000000 0.332900000000 0.104300000000 0.000696000000 -0.000139000000 0.000000000000 0.005353000000 -0.001097000000 0.000000000000 0.027134000000 -0.005444000000 0.000000000000 0.101380000000 -0.021916000000 0.000000000000 0.272055000000 -0.059751000000 0.000000000000 0.448403000000 -0.138732000000 0.000000000000 0.290123000000 -0.131482000000 0.000000000000 0.014322000000 0.539526000000 0.000000000000 -0.003486000000 0.580774000000 1.000000000000 6.001000000000 1.241000000000 0.336400000000 0.095380000000 0.035481000000 0.000000000000 0.198072000000 0.000000000000 0.505230000000 0.000000000000 0.479499000000 1.000000000000 0.343000000000 1.000000000000 B:cc-pVTZ Dunning's correlation consistent basis set 4 0 1 2 3 4 3 2 1 10 5 2 1 5473.000000000000 820.900000000000 186.800000000000 52.830000000000 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0.661000000000 0.199000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 0.490000000000 1.000000000000 B:cc-pVQZ Dunning's correlation consistent basis set 5 0 1 2 3 4 5 4 3 2 1 12 6 3 2 1 23870.000000000000 3575.000000000000 812.800000000000 229.700000000000 74.690000000000 26.810000000000 10.320000000000 4.178000000000 1.727000000000 0.470400000000 0.189600000000 0.073940000000 0.000088000000 -0.000018000000 0.000000000000 0.000000000000 0.000000000000 0.000687000000 -0.000139000000 0.000000000000 0.000000000000 0.000000000000 0.003600000000 -0.000725000000 0.000000000000 0.000000000000 0.000000000000 0.014949000000 -0.003063000000 0.000000000000 0.000000000000 0.000000000000 0.051435000000 -0.010581000000 0.000000000000 0.000000000000 0.000000000000 0.143302000000 -0.031365000000 0.000000000000 0.000000000000 0.000000000000 0.300935000000 -0.071012000000 0.000000000000 0.000000000000 0.000000000000 0.403526000000 -0.132103000000 0.000000000000 0.000000000000 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0.000000000000 0.000000000000 1.000000000000 0.673000000000 1.000000000000 B: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 68260.000000000000 10230.000000000000 2328.000000000000 660.400000000000 216.200000000000 78.600000000000 30.980000000000 12.960000000000 5.659000000000 2.556000000000 1.175000000000 0.424900000000 0.171200000000 0.069130000000 0.000024000000 -0.000005000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000185000000 -0.000037000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000970000000 -0.000196000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.004056000000 -0.000824000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.014399000000 -0.002923000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.043901000000 -0.009138000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.113057000000 -0.024105000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.233825000000 -0.054755000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.353960000000 -0.096943000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.301547000000 -0.137485000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.087521000000 -0.044565000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002819000000 0.324345000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000043000000 0.570414000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000078000000 0.243444000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 66.440000000000 15.710000000000 4.936000000000 1.770000000000 0.700800000000 0.290100000000 0.121100000000 0.049730000000 0.000838000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006409000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.028081000000 0.000000000000 0.000000000000 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1.000000000000 B: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 210400.000000 31500.0000000 7169.0000000 2030.0000000 662.5000000 239.2000000 93.2600000 38.6400000 16.7800000 7.5410000 3.4820000 1.6180000 0.6270000 0.2934000 0.1310000 0.0581500 0.0000058 0.0000000 0.0000000 0.0000000 -0.0000012 0.0000000 0.0000000 0.0000453 0.0000000 0.0000000 0.0000000 -0.0000092 0.0000000 0.0000000 0.0002384 0.0000000 0.0000000 0.0000000 -0.0000482 0.0000000 0.0000000 0.0010057 0.0000000 0.0000000 0.0000000 -0.0002031 0.0000000 0.0000000 0.0036450 0.0000000 0.0000000 0.0000000 -0.0007392 0.0000000 0.0000000 0.0117363 0.0000000 0.0000000 0.0000000 -0.0023860 0.0000000 0.0000000 0.0338070 0.0000000 0.0000000 0.0000000 -0.0069865 0.0000000 0.0000000 0.0855659 0.0000000 0.0000000 0.0000000 -0.0181159 0.0000000 0.0000000 0.1826032 0.0000000 0.0000000 0.0000000 -0.0412313 0.0000000 0.0000000 0.3058376 0.0000000 0.0000000 0.0000000 -0.0778135 0.0000000 0.0000000 0.3408035 0.0000000 0.0000000 0.0000000 -0.1212318 0.0000000 0.0000000 0.1753504 1.0000000 0.0000000 0.0000000 -0.1084302 0.0000000 0.0000000 0.0172183 0.0000000 1.0000000 0.0000000 0.1101651 0.0000000 0.0000000 -0.0023198 0.0000000 0.0000000 1.0000000 0.4192185 0.0000000 0.0000000 0.0010175 0.0000000 0.0000000 0.0000000 0.4725292 1.0000000 0.0000000 -0.0001848 0.0000000 0.0000000 0.0000000 0.1429450 0.0000000 1.0000000 192.5000000 45.6400000 14.7500000 5.5030000 2.2220000 0.9590000 0.4314000 0.1969000 0.0903300 0.0406600 0.0000000 0.0000000 0.0001349 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0011474 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0058479 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0211709 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0626687 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.1530276 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.2779789 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.3588891 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.2795015 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 0.0753265 0.0000000 0.0000000 1.0000000 2.8860000 1.2670000 0.5560000 0.2440000 0.1070000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.6510000 0.8002000 0.3878000 0.1880000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.6469000 0.7889000 0.3779000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.3120000 0.5806000 1.0000000 0.0000000 0.0000000 1.0000000 0.9847000 1.0000000 B:cc-pCVDZ Dunning's correlation consistent basis set 3 0 1 2 4 3 1 10 5 1 4570.000000000000 685.900000000000 156.500000000000 44.470000000000 14.480000000000 5.131000000000 1.898000000000 0.332900000000 0.104300000000 3.066000000000 0.000696000000 -0.000139000000 0.000000000000 0.000000000000 0.005353000000 -0.001097000000 0.000000000000 0.000000000000 0.027134000000 -0.005444000000 0.000000000000 0.000000000000 0.101380000000 -0.021916000000 0.000000000000 0.000000000000 0.272055000000 -0.059751000000 0.000000000000 0.000000000000 0.448403000000 -0.138732000000 0.000000000000 0.000000000000 0.290123000000 -0.131482000000 0.000000000000 0.000000000000 0.014322000000 0.539526000000 0.000000000000 0.000000000000 -0.003486000000 0.580774000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 6.001000000000 1.241000000000 0.336400000000 0.095380000000 9.940000000000 0.035481000000 0.000000000000 0.000000000000 0.198072000000 0.000000000000 0.000000000000 0.505230000000 0.000000000000 0.000000000000 0.479499000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.343000000000 1.000000000000 B:cc-pCVTZ Dunning's correlation consistent basis set 4 0 1 2 3 6 5 3 1 12 7 3 1 5473.000000000000 820.900000000000 186.800000000000 52.830000000000 17.080000000000 5.999000000000 2.208000000000 0.587900000000 0.241500000000 0.086100000000 2.940000000000 8.311000000000 0.000555000000 -0.000112000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.004291000000 -0.000868000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.021949000000 -0.004484000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.084441000000 -0.017683000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.238557000000 -0.053639000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.435072000000 -0.119005000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.341955000000 -0.165824000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.036856000000 0.120107000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.009545000000 0.595981000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002368000000 0.411021000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 12.050000000000 2.613000000000 0.747500000000 0.238500000000 0.076980000000 6.016000000000 22.891000000000 0.013118000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.079896000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.277275000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.504270000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.353680000000 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 0.661000000000 0.199000000000 13.015000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.490000000000 1.000000000000 B:cc-pCVQZ Dunning's correlation consistent basis set 5 0 1 2 3 4 8 7 5 3 1 15 9 5 3 1 23870.000000000000 3575.000000000000 812.800000000000 229.700000000000 74.690000000000 26.810000000000 10.320000000000 4.178000000000 1.727000000000 0.470400000000 0.189600000000 0.073940000000 4.864000000000 13.288000000000 36.304000000000 0.000088000000 -0.000018000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000687000000 -0.000139000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003600000000 -0.000725000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.014949000000 -0.003063000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.051435000000 -0.010581000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.143302000000 -0.031365000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.300935000000 -0.071012000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.403526000000 -0.132103000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.225340000000 -0.123072000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.015407000000 0.261819000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.003955000000 0.586662000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001124000000 0.290494000000 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 1.000000000000 0.673000000000 1.000000000000 B: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 68260.000000000000 10230.000000000000 2328.000000000000 660.400000000000 216.200000000000 78.600000000000 30.980000000000 12.960000000000 5.659000000000 2.556000000000 1.175000000000 0.424900000000 0.171200000000 0.069130000000 6.411000000000 14.521000000000 32.890000000000 74.496000000000 0.000024000000 -0.000005000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000185000000 -0.000037000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000970000000 -0.000196000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.004056000000 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0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.010000000000 0.796000000000 0.316000000000 0.125000000000 7.066000000000 19.721000000000 55.042000000000 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 1.215000000000 0.525000000000 0.227000000000 9.994000000000 33.090000000000 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 1.124000000000 0.461000000000 24.020000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.834000000000 1.000000000000 B:aug-cc-pVDZ Dunning's correlation consistent basis set 3 0 1 2 4 3 2 10 5 2 4570.000000000000 685.900000000000 156.500000000000 44.470000000000 14.480000000000 5.131000000000 1.898000000000 0.332900000000 0.104300000000 0.031050000000 0.000696000000 -0.000139000000 0.000000000000 0.000000000000 0.005353000000 -0.001097000000 0.000000000000 0.000000000000 0.027134000000 -0.005444000000 0.000000000000 0.000000000000 0.101380000000 -0.021916000000 0.000000000000 0.000000000000 0.272055000000 -0.059751000000 0.000000000000 0.000000000000 0.448403000000 -0.138732000000 0.000000000000 0.000000000000 0.290123000000 -0.131482000000 0.000000000000 0.000000000000 0.014322000000 0.539526000000 0.000000000000 0.000000000000 -0.003486000000 0.580774000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 6.001000000000 1.241000000000 0.336400000000 0.095380000000 0.023780000000 0.035481000000 0.000000000000 0.000000000000 0.198072000000 0.000000000000 0.000000000000 0.505230000000 0.000000000000 0.000000000000 0.479499000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.343000000000 0.090400000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 B:aug-cc-pVTZ Dunning's correlation consistent basis set 4 0 1 2 3 5 4 3 2 11 6 3 2 5473.000000000000 820.900000000000 186.800000000000 52.830000000000 17.080000000000 5.999000000000 2.208000000000 0.587900000000 0.241500000000 0.086100000000 0.029140000000 0.000555000000 -0.000112000000 0.000000000000 0.000000000000 0.000000000000 0.004291000000 -0.000868000000 0.000000000000 0.000000000000 0.000000000000 0.021949000000 -0.004484000000 0.000000000000 0.000000000000 0.000000000000 0.084441000000 -0.017683000000 0.000000000000 0.000000000000 0.000000000000 0.238557000000 -0.053639000000 0.000000000000 0.000000000000 0.000000000000 0.435072000000 -0.119005000000 0.000000000000 0.000000000000 0.000000000000 0.341955000000 -0.165824000000 0.000000000000 0.000000000000 0.000000000000 0.036856000000 0.120107000000 1.000000000000 0.000000000000 0.000000000000 -0.009545000000 0.595981000000 0.000000000000 0.000000000000 0.000000000000 0.002368000000 0.411021000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 12.050000000000 2.613000000000 0.747500000000 0.238500000000 0.076980000000 0.020960000000 0.013118000000 0.000000000000 0.000000000000 0.000000000000 0.079896000000 0.000000000000 0.000000000000 0.000000000000 0.277275000000 0.000000000000 0.000000000000 0.000000000000 0.504270000000 1.000000000000 0.000000000000 0.000000000000 0.353680000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.661000000000 0.199000000000 0.060400000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.490000000000 0.163000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 B: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 23870.000000000000 3575.000000000000 812.800000000000 229.700000000000 74.690000000000 26.810000000000 10.320000000000 4.178000000000 1.727000000000 0.470400000000 0.189600000000 0.073940000000 0.027210000000 0.000088000000 -0.000018000000 0.000000000000 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1.000000000000 12.050000000000 2.613000000000 0.747500000000 0.238500000000 0.076980000000 6.016000000000 22.891000000000 0.020960000000 0.013118000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.079896000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.277275000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.504270000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.353680000000 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 0.661000000000 0.199000000000 13.015000000000 0.060400000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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0.000000000000 0.014949000000 -0.003063000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.051435000000 -0.010581000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.143302000000 -0.031365000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.300935000000 -0.071012000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.403526000000 -0.132103000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.225340000000 -0.123072000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.015407000000 0.261819000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.003955000000 0.586662000000 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1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.673000000000 0.273000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 B:aug-cc-pCV5Z 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 68260.000000000000 10230.000000000000 2328.000000000000 660.400000000000 216.200000000000 78.600000000000 30.980000000000 12.960000000000 5.659000000000 2.556000000000 1.175000000000 0.424900000000 0.171200000000 0.069130000000 6.411000000000 14.521000000000 32.890000000000 74.496000000000 0.026100000000 0.000024000000 -0.000005000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000185000000 -0.000037000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000970000000 -0.000196000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.004056000000 -0.000824000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.014399000000 -0.002923000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.043901000000 -0.009138000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.113057000000 -0.024105000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.233825000000 -0.054755000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.353960000000 -0.096943000000 0.000000000000 0.000000000000 0.000000000000 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0.435072000000 -0.119005000000 0.000000000000 0.000000000000 0.000000000000 0.341955000000 -0.165824000000 0.000000000000 0.000000000000 0.000000000000 -0.009545000000 0.595981000000 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 12.050000000000 2.613000000000 0.747500000000 0.238500000000 0.076980000000 0.020960000000 0.013118000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.079896000000 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 0.842400000000 0.243400000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 B:cc-pVTZ-F12 Peterson's F12 basis set 4 0 1 2 3 6 6 3 2 13 7 3 2 23870.000000000000 3575.000000000000 812.800000000000 229.700000000000 74.690000000000 26.810000000000 10.320000000000 4.178000000000 1.727000000000 0.470400000000 0.189600000000 0.073940000000 0.027210000000 0.000088000000 -0.000018000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000687000000 -0.000139000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003600000000 -0.000725000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.014949000000 -0.003063000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.051435000000 -0.010581000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.143302000000 -0.031365000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.300935000000 -0.071012000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.403526000000 -0.132103000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.225340000000 -0.123072000000 0.000000000000 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 22.260000000000 5.058000000000 1.487000000000 0.507100000000 0.181200000000 0.064630000000 0.018780000000 0.005095000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.033206000000 0.000000000000 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 1.440300000000 0.533300000000 0.197500000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.847900000000 0.248400000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 B:cc-pVQZ-F12 Peterson's F12 basis set 5 0 1 2 3 4 7 7 4 3 2 15 9 4 3 2 68260.000000000000 10230.000000000000 2328.000000000000 660.400000000000 216.200000000000 78.600000000000 30.980000000000 12.960000000000 5.659000000000 2.556000000000 1.175000000000 0.424900000000 0.171200000000 0.069130000000 0.026100000000 0.000024000000 -0.000005000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 66.440000000000 15.710000000000 4.936000000000 1.770000000000 0.700800000000 0.290100000000 0.121100000000 0.049730000000 0.015700000000 0.000838000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006409000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.028081000000 0.000000000000 0.000000000000 0.000000000000 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 2.527800000000 0.985200000000 0.384000000000 0.149700000000 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 1.140100000000 0.431300000000 0.163100000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.937500000000 0.330600000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 B:STO-3G Pople's Gaussian basis set 2 0 1 2 1 6 3 48.791113200000 8.887362200000 2.405267000000 2.236956100000 0.519820500000 0.169061800000 0.154329000000 0.000000000000 0.535328100000 0.000000000000 0.444634500000 0.000000000000 0.000000000000 -0.099967200000 0.000000000000 0.399512800000 0.000000000000 0.700115500000 2.236956100000 0.519820500000 0.169061800000 0.155916300000 0.607683700000 0.391957400000 B:3-21G Pople's Gaussian basis set 2 0 1 3 2 6 3 116.434000000000 17.431400000000 3.680160000000 2.281870000000 0.465248000000 0.124328000000 0.062960500000 0.000000000000 0.000000000000 0.363304000000 0.000000000000 0.000000000000 0.697255000000 0.000000000000 0.000000000000 0.000000000000 -0.368662000000 0.000000000000 0.000000000000 1.199440000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.281870000000 0.465248000000 0.124328000000 0.231152000000 0.000000000000 0.866764000000 0.000000000000 0.000000000000 1.000000000000 B:6-31G Pople's Gaussian basis set 2 0 1 3 2 10 4 2068.882250000000 310.649570000000 70.683033000000 19.861080300000 6.299304800000 2.127027000000 4.727971100000 1.190337700000 0.359411700000 0.126751200000 0.001866300000 0.000000000000 0.000000000000 0.014251500000 0.000000000000 0.000000000000 0.069551600000 0.000000000000 0.000000000000 0.232572900000 0.000000000000 0.000000000000 0.467078700000 0.000000000000 0.000000000000 0.363431400000 0.000000000000 0.000000000000 0.000000000000 -0.130393800000 0.000000000000 0.000000000000 -0.130789000000 0.000000000000 0.000000000000 1.130944500000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 4.727971100000 1.190337700000 0.359411700000 0.126751200000 0.074597600000 0.000000000000 0.307846700000 0.000000000000 0.743456800000 0.000000000000 0.000000000000 1.000000000000 B:6-311G Pople's Gaussian basis set 2 0 1 4 3 11 5 2858.890000000000 428.140000000000 97.528200000000 27.969300000000 8.215770000000 1.112780000000 13.241500000000 3.001660000000 0.912856000000 0.315454000000 0.098856300000 0.002153800000 0.000000000000 0.000000000000 0.000000000000 0.016582300000 0.000000000000 0.000000000000 0.000000000000 0.082187000000 0.000000000000 0.000000000000 0.000000000000 0.276618000000 0.000000000000 0.000000000000 0.000000000000 0.629316000000 0.000000000000 0.000000000000 0.000000000000 0.173770000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.117443000000 0.000000000000 0.000000000000 0.000000000000 0.918002000000 0.000000000000 0.000000000000 0.000000000000 -0.002651100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 13.241500000000 3.001660000000 0.912856000000 0.315454000000 0.098856300000 0.041810000000 0.000000000000 0.000000000000 0.236575000000 0.000000000000 0.000000000000 0.816214000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 B:6-31G* Pople's Gaussian basis set 3 0 1 2 3 2 1 10 4 1 2068.882250000000 310.649570000000 70.683033000000 19.861080300000 6.299304800000 2.127027000000 4.727971100000 1.190337700000 0.359411700000 0.126751200000 0.001866300000 0.000000000000 0.000000000000 0.014251500000 0.000000000000 0.000000000000 0.069551600000 0.000000000000 0.000000000000 0.232572900000 0.000000000000 0.000000000000 0.467078700000 0.000000000000 0.000000000000 0.363431400000 0.000000000000 0.000000000000 0.000000000000 -0.130393800000 0.000000000000 0.000000000000 -0.130789000000 0.000000000000 0.000000000000 1.130944500000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 4.727971100000 1.190337700000 0.359411700000 0.126751200000 0.074597600000 0.000000000000 0.307846700000 0.000000000000 0.743456800000 0.000000000000 0.000000000000 1.000000000000 0.600000000000 1.000000000000 B:6-311G* Pople's Gaussian basis set 3 0 1 2 4 3 1 11 5 1 2858.890000000000 428.140000000000 97.528200000000 27.969300000000 8.215770000000 1.112780000000 13.241500000000 3.001660000000 0.912856000000 0.315454000000 0.098856300000 0.002153800000 0.000000000000 0.000000000000 0.000000000000 0.016582300000 0.000000000000 0.000000000000 0.000000000000 0.082187000000 0.000000000000 0.000000000000 0.000000000000 0.276618000000 0.000000000000 0.000000000000 0.000000000000 0.629316000000 0.000000000000 0.000000000000 0.000000000000 0.173770000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.117443000000 0.000000000000 0.000000000000 0.000000000000 0.918002000000 0.000000000000 0.000000000000 0.000000000000 -0.002651100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 13.241500000000 3.001660000000 0.912856000000 0.315454000000 0.098856300000 0.041810000000 0.000000000000 0.000000000000 0.236575000000 0.000000000000 0.000000000000 0.816214000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.401000000000 1.000000000000 B:6-31+G* Pople's Gaussian basis set 3 0 1 2 4 3 1 11 5 1 2068.882300000000 310.649570000000 70.683033000000 19.861080000000 6.299304800000 2.127027000000 4.727971000000 1.190337700000 0.359411700000 0.126751200000 0.031500000000 0.001866300000 0.000000000000 0.000000000000 0.000000000000 0.014251500000 0.000000000000 0.000000000000 0.000000000000 0.069551600000 0.000000000000 0.000000000000 0.000000000000 0.232572900000 0.000000000000 0.000000000000 0.000000000000 0.467078700000 0.000000000000 0.000000000000 0.000000000000 0.363431400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.130393800000 0.000000000000 0.000000000000 0.000000000000 -0.130788900000 0.000000000000 0.000000000000 0.000000000000 1.130944400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 4.727971000000 1.190337700000 0.359411700000 0.126751200000 0.031500000000 0.074597600000 0.000000000000 0.000000000000 0.307846700000 0.000000000000 0.000000000000 0.743456800000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.600000000000 1.000000000000 B:6-311+G* Pople's Gaussian basis set 3 0 1 2 5 4 1 12 6 1 2858.890000000000 428.140000000000 97.528200000000 27.969300000000 8.215770000000 1.112780000000 13.241500000000 3.001660000000 0.912856000000 0.315454000000 0.098856300000 0.031500000000 0.002153700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.016582300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.082187000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.276618000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.629316000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.173770000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.117443000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.918002000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.002651000000 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 13.241500000000 3.001660000000 0.912856000000 0.315454000000 0.098856300000 0.031500000000 0.041810000000 0.000000000000 0.000000000000 0.000000000000 0.236575000000 0.000000000000 0.000000000000 0.000000000000 0.816214000000 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 0.401000000000 1.000000000000 B:def2-SV(P) Weigend and Ahlrichs' Gaussian basis set 3 0 1 2 3 2 1 7 4 1 839.318300860000 126.264648430000 28.620600763000 7.879372271000 2.408885717200 0.251051090360 0.083648866069 -0.005592920107 0.000000000000 0.000000000000 -0.041565520771 0.000000000000 0.000000000000 -0.182998169830 0.000000000000 0.000000000000 -0.465403918660 0.000000000000 0.000000000000 -0.441738847910 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 6.033222361900 1.249915786600 0.338716763500 0.096415632351 -0.035603672456 0.000000000000 -0.198957757690 0.000000000000 -0.508502026180 0.000000000000 0.000000000000 1.000000000000 0.500000000000 1.000000000000 B:def2-SVP Weigend and Ahlrichs' Gaussian basis set 3 0 1 2 3 2 1 7 4 1 839.318300860000 126.264648430000 28.620600763000 7.879372271000 2.408885717200 0.251051090360 0.083648866069 -0.005592920107 0.000000000000 0.000000000000 -0.041565520771 0.000000000000 0.000000000000 -0.182998169830 0.000000000000 0.000000000000 -0.465403918660 0.000000000000 0.000000000000 -0.441738847910 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 6.033222361900 1.249915786600 0.338716763500 0.096415632351 -0.035603672456 0.000000000000 -0.198957757690 0.000000000000 -0.508502026180 0.000000000000 0.000000000000 1.000000000000 0.500000000000 1.000000000000 B:def2-TZVP Weigend and Ahlrichs' Gaussian basis set 4 0 1 2 3 5 3 2 1 11 6 2 1 8564.866068699999 1284.151626300000 292.278716040000 82.775469176000 27.017939269000 9.814961966000 3.931855905900 1.659559971200 0.357629652390 0.142462774960 0.060560594768 0.000228371982 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001768257645 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.009140708052 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.036342638989 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.110634584410 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.233673443210 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.418187779780 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.223254737980 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 22.453875803000 5.104505833000 1.498608134400 0.509278313150 0.181470777980 0.064621893904 0.005026557518 0.000000000000 0.000000000000 0.032801738965 0.000000000000 0.000000000000 0.131512307680 0.000000000000 0.000000000000 0.331971677690 0.000000000000 0.000000000000 0.000000000000 0.473143195700 0.000000000000 0.000000000000 0.000000000000 0.258027839430 0.661000000000 0.199000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 0.490000000000 1.000000000000 B:def2-TZVPP Weigend and Ahlrichs' Gaussian basis set 4 0 1 2 3 5 3 2 1 11 6 2 1 8564.866068699999 1284.151626300000 292.278716040000 82.775469176000 27.017939269000 9.814961966000 3.931855905900 1.659559971200 0.357629652390 0.142462774960 0.060560594768 0.000228371982 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001768257645 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.009140708052 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.036342638989 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.110634584410 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.233673443210 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.418187779780 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.223254737980 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 22.453875803000 5.104505833000 1.498608134400 0.509278313150 0.181470777980 0.064621893904 0.005026557518 0.000000000000 0.000000000000 0.032801738965 0.000000000000 0.000000000000 0.131512307680 0.000000000000 0.000000000000 0.331971677690 0.000000000000 0.000000000000 0.000000000000 0.473143195700 0.000000000000 0.000000000000 0.000000000000 0.258027839430 0.661000000000 0.199000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 0.490000000000 1.000000000000 B:def2-QZVP Weigend and Ahlrichs' Gaussian basis set 5 0 1 2 3 4 7 4 3 2 1 15 8 3 2 1 46447.667055999998 6957.688904200000 1583.442840300000 448.466010090000 146.286392620000 52.784386084000 20.519396170000 8.418565925800 36.510018312000 10.541854005000 3.600409138700 1.561702374900 0.449973707750 0.180752302370 0.071596696319 0.000038388681 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000298367702 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001564547881 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006547677074 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.023139008388 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.069615799357 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.171196368760 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.319131918370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.078990617244 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.789263842650 0.000000000000 0.000000000000 0.000000000000 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 72.240462760000 16.807707208000 5.225941074700 1.850835067100 0.722067826630 0.294910180560 0.122011418390 0.049865393625 0.000865391704 0.000000000000 0.000000000000 0.000000000000 0.006876206737 0.000000000000 0.000000000000 0.000000000000 0.030976687148 0.000000000000 0.000000000000 0.000000000000 0.104323579130 0.000000000000 0.000000000000 0.000000000000 0.261641375770 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 1.110000000000 0.402000000000 0.145000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.882000000000 0.311000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 0.673000000000 1.000000000000 B:def2-QZVPP Weigend and Ahlrichs' Gaussian basis set 5 0 1 2 3 4 7 4 3 2 1 15 8 3 2 1 46447.667055999998 6957.688904200000 1583.442840300000 448.466010090000 146.286392620000 52.784386084000 20.519396170000 8.418565925800 36.510018312000 10.541854005000 3.600409138700 1.561702374900 0.449973707750 0.180752302370 0.071596696319 0.000038388681 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000298367702 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001564547881 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006547677074 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.023139008388 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.069615799357 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.171196368760 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.319131918370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.078990617244 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.789263842650 0.000000000000 0.000000000000 0.000000000000 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 72.240462760000 16.807707208000 5.225941074700 1.850835067100 0.722067826630 0.294910180560 0.122011418390 0.049865393625 0.000865391704 0.000000000000 0.000000000000 0.000000000000 0.006876206737 0.000000000000 0.000000000000 0.000000000000 0.030976687148 0.000000000000 0.000000000000 0.000000000000 0.104323579130 0.000000000000 0.000000000000 0.000000000000 0.261641375770 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 1.110000000000 0.402000000000 0.145000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.882000000000 0.311000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 0.673000000000 1.000000000000 B:def2-SVPD Weigend and Ahlrichs' Gaussian basis set 3 0 1 2 4 2 2 8 4 2 839.318300860000 126.264648430000 28.620600763000 7.879372271000 2.408885717200 0.251051090360 0.083648866069 0.042351565332 -0.005592920107 0.000000000000 0.000000000000 0.000000000000 -0.041565520771 0.000000000000 0.000000000000 0.000000000000 -0.182998169830 0.000000000000 0.000000000000 0.000000000000 -0.465403918660 0.000000000000 0.000000000000 0.000000000000 -0.441738847910 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 6.033222361900 1.249915786600 0.338716763500 0.096415632351 -0.035603672456 0.000000000000 -0.198957757690 0.000000000000 -0.508502026180 0.000000000000 0.000000000000 1.000000000000 0.500000000000 0.074392443101 1.000000000000 0.000000000000 0.000000000000 1.000000000000 B:def2-TZVPD Weigend and Ahlrichs' Gaussian basis set 4 0 1 2 3 6 3 3 1 12 6 3 1 8564.866068699999 1284.151626300000 292.278716040000 82.775469176000 27.017939269000 9.814961966000 3.931855905900 1.659559971200 0.357629652390 0.142462774960 0.060560594768 0.031334737069 0.000228371982 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001768257645 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.009140708052 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.036342638989 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.110634584410 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.233673443210 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.418187779780 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.223254737980 0.000000000000 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 22.453875803000 5.104505833000 1.498608134400 0.509278313150 0.181470777980 0.064621893904 0.005026557518 0.000000000000 0.000000000000 0.032801738965 0.000000000000 0.000000000000 0.131512307680 0.000000000000 0.000000000000 0.331971677690 0.000000000000 0.000000000000 0.000000000000 0.473143195700 0.000000000000 0.000000000000 0.000000000000 0.258027839430 0.661000000000 0.199000000000 0.059549085820 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.490000000000 1.000000000000 B:def2-TZVPPD Weigend and Ahlrichs' Gaussian basis set 4 0 1 2 3 6 3 3 1 12 6 3 1 8564.866068699999 1284.151626300000 292.278716040000 82.775469176000 27.017939269000 9.814961966000 3.931855905900 1.659559971200 0.357629652390 0.142462774960 0.060560594768 0.031334737069 0.000228371982 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001768257645 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.009140708052 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.036342638989 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.110634584410 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.233673443210 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.418187779780 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.223254737980 0.000000000000 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 22.453875803000 5.104505833000 1.498608134400 0.509278313150 0.181470777980 0.064621893904 0.005026557518 0.000000000000 0.000000000000 0.032801738965 0.000000000000 0.000000000000 0.131512307680 0.000000000000 0.000000000000 0.331971677690 0.000000000000 0.000000000000 0.000000000000 0.473143195700 0.000000000000 0.000000000000 0.000000000000 0.258027839430 0.661000000000 0.199000000000 0.059549085820 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.490000000000 1.000000000000 B:def2-QZVPD Weigend and Ahlrichs' Gaussian basis set 5 0 1 2 3 4 8 4 4 2 1 16 8 4 2 1 46447.667055999998 6957.688904200000 1583.442840300000 448.466010090000 146.286392620000 52.784386084000 20.519396170000 8.418565925800 36.510018312000 10.541854005000 3.600409138700 1.561702374900 0.449973707750 0.180752302370 0.071596696319 0.029941402533 0.000038388681 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000298367702 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001564547881 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006547677074 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.023139008388 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.069615799357 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.171196368760 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.319131918370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.078990617244 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.789263842650 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 72.240462760000 16.807707208000 5.225941074700 1.850835067100 0.722067826630 0.294910180560 0.122011418390 0.049865393625 0.000865391704 0.000000000000 0.000000000000 0.000000000000 0.006876206737 0.000000000000 0.000000000000 0.000000000000 0.030976687148 0.000000000000 0.000000000000 0.000000000000 0.104323579130 0.000000000000 0.000000000000 0.000000000000 0.261641375770 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 1.110000000000 0.402000000000 0.145000000000 0.050896593879 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 0.882000000000 0.311000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 0.673000000000 1.000000000000 B:def2-QZVPPD Weigend and Ahlrichs' Gaussian basis set 5 0 1 2 3 4 8 4 4 2 1 16 8 4 2 1 46447.667055999998 6957.688904200000 1583.442840300000 448.466010090000 146.286392620000 52.784386084000 20.519396170000 8.418565925800 36.510018312000 10.541854005000 3.600409138700 1.561702374900 0.449973707750 0.180752302370 0.071596696319 0.029941402533 0.000038388681 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000298367702 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001564547881 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.006547677074 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.023139008388 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.069615799357 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.171196368760 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.319131918370 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.078990617244 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.789263842650 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 72.240462760000 16.807707208000 5.225941074700 1.850835067100 0.722067826630 0.294910180560 0.122011418390 0.049865393625 0.000865391704 0.000000000000 0.000000000000 0.000000000000 0.006876206737 0.000000000000 0.000000000000 0.000000000000 0.030976687148 0.000000000000 0.000000000000 0.000000000000 0.104323579130 0.000000000000 0.000000000000 0.000000000000 0.261641375770 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 1.110000000000 0.402000000000 0.145000000000 0.050896593879 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 0.882000000000 0.311000000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 0.673000000000 1.000000000000 B:LANL2DZ Hay and Wadt's LANL2DZ Gaussian basis set 2 0 1 3 2 10 5 2788.000000000000 419.000000000000 96.470000000000 28.070000000000 9.376000000000 3.406000000000 1.306000000000 3.406000000000 0.324500000000 0.102200000000 0.001288000000 0.000000000000 0.000000000000 0.009835000000 0.000000000000 0.000000000000 0.047648000000 0.000000000000 0.000000000000 0.160069000000 0.000000000000 0.000000000000 0.362894000000 0.000000000000 0.000000000000 0.433582000000 0.000000000000 0.000000000000 0.140082000000 0.000000000000 0.000000000000 0.000000000000 -0.179330000000 0.000000000000 0.000000000000 1.062594000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 11.340000000000 2.436000000000 0.683600000000 0.213400000000 0.070110000000 0.017988000000 0.000000000000 0.110343000000 0.000000000000 0.383072000000 0.000000000000 0.647895000000 0.000000000000 0.000000000000 1.000000000000 B:cc-pVDZ-RI Weigend's auxiliary basis set 4 0 1 2 3 7 5 4 2 7 5 4 2 53.624169220000 10.647681740000 4.020907710000 1.203717510000 0.557431690000 0.267324260000 0.117427280000 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 16.721776900000 5.115312130000 1.363875580000 0.542194820000 0.215048960000 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 2.479679140000 0.773259390000 0.373356870000 0.167851450000 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 2.527724620000 0.565053050000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 B:cc-pVTZ-RI Weigend's auxiliary basis set 5 0 1 2 3 4 8 6 5 3 1 8 6 5 3 1 143.766072920000 32.415359994000 12.299693925000 4.566409191700 1.500975845500 0.850366909680 0.398389665800 0.183132232420 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 16.165630974000 4.149989358600 1.466888875200 0.712149118910 0.386372245290 0.179316606310 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 6.424445391400 2.294292411300 0.885215633750 0.365482958530 0.153357059450 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 2.010344970700 0.712658551380 0.348458808010 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.759321442710 1.000000000000 B: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 1 157.114916130000 32.881671170000 7.639259740000 4.901104210000 1.657612720000 0.783598150000 0.321564870000 0.172016630000 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 39.926216980000 10.022342580000 3.795521900000 1.687383030000 0.737441110000 0.336594530000 0.158492300000 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 14.831087490000 4.053247890000 1.343136190000 0.680469830000 0.470131470000 0.244681290000 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 4.297756930000 1.757108850000 1.090730890000 0.473903240000 0.212749530000 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 1.704946100000 0.874472170000 0.474416510000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.961444830000 1.000000000000 B:cc-pV5Z-RI Weigend's auxiliary basis set 7 0 1 2 3 4 5 6 10 8 7 6 4 3 1 10 8 7 6 4 3 1 142.715000000000 34.757300000000 9.063320000000 4.124940000000 2.103280000000 1.043310000000 0.591867000000 0.387495000000 0.193579000000 0.100115000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 36.802300000000 9.892560000000 3.548920000000 1.677110000000 0.926420000000 0.445473000000 0.248681000000 0.140195000000 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 10.808500000000 4.554610000000 2.202870000000 1.056650000000 0.495164000000 0.264649000000 0.165073000000 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 4.908970000000 2.483560000000 1.421170000000 0.724300000000 0.398860000000 0.242397000000 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 3.560170000000 1.364190000000 0.662307000000 0.393770000000 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 1.852370000000 0.994333000000 0.625900000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.130180000000 1.000000000000 B:cc-pV6Z-RI Weigend's auxiliary basis set 8 0 1 2 3 4 5 6 7 12 10 8 7 6 4 3 1 12 10 8 7 6 4 3 1 390.176000000000 92.338700000000 32.823300000000 12.670900000000 6.403950000000 3.531500000000 1.752660000000 0.905040000000 0.489542000000 0.282331000000 0.158266000000 0.089953600000 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 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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 6.424445391400 2.294292411300 0.885215633750 0.365482958530 0.153357059450 0.064348794200 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 2.010344970700 0.712658551380 0.348458808010 0.120243926660 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 0.759321442710 0.250231897800 1.000000000000 0.000000000000 0.000000000000 1.000000000000 B:aug-cc-pVQZ-RI Weigend's auxiliary basis set 6 0 1 2 3 4 5 9 8 7 6 4 2 9 8 7 6 4 2 157.114916130000 32.881671170000 7.639259740000 4.901104210000 1.657612720000 0.783598150000 0.321564870000 0.172016630000 0.051789335400 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 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0.117427280000 160.683000000000 23.343300000000 6.402800000000 0.035662215781 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 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0.398389665800 0.183132232420 308.379000000000 41.320400000000 14.173500000000 3.161470000000 0.063060508493 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 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basis set 6 0 1 2 3 4 5 13 12 10 8 5 2 13 12 10 8 5 2 157.114916130000 32.881671170000 7.639259740000 4.901104210000 1.657612720000 0.783598150000 0.321564870000 0.172016630000 562.590000000000 75.180400000000 17.634400000000 5.784070000000 0.051789335392 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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36.381694756000 12.119796695000 3.844112940600 1.100276118300 0.397331179930 0.135147654220 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 9.364337388000 3.103565798600 1.200683512000 0.408296246020 0.131883041800 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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3.103565798600 1.200683512000 0.408296246020 0.131883041800 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 0.723591244336 0.261591244336 1.000000000000 0.000000000000 0.000000000000 1.000000000000 0.552591244336 1.000000000000 B:cc-pVQZ-RI-JK Weigend's Coulomb/exchange fitting basis set 6 0 1 2 3 4 5 10 7 5 3 2 1 10 7 5 3 2 1 441.889131570000 92.069629785000 29.978448517000 11.426330790000 4.380872243900 2.059403354200 0.901157175780 0.524552889390 0.246347259590 0.120858059610 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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4 5 6 10 7 5 4 3 2 1 10 7 5 4 3 2 1 441.889131570000 92.069629785000 29.978448517000 11.426330790000 4.380872243900 2.059403354200 0.901157175780 0.524552889390 0.246347259590 0.120858059610 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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0.000000000000 0.000000000000 1.000000000000 94.469984000000 36.819812900000 15.710121000000 6.745708100000 3.108465500000 1.468206600000 0.713017900000 0.353384000000 0.177329400000 0.090249900000 0.056061232800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.151020851500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.458381986300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.714269112700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.503741431600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 5.366408000000 2.047900900000 0.874369700000 0.407943300000 0.201544000000 0.101567600000 0.413322650500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.910584640000 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 1.504337400000 0.594871800000 0.309164022600 0.622164297400 0.876655700000 0.719256000400 B: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 1322.201672300000 458.237065300000 168.002364100000 64.957769000000 26.387185600000 11.210861100000 4.955446000000 2.265282500000 1.063808600000 0.509518700000 0.246985900000 0.120208900000 0.054283400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.116714900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.402023000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.937794100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.586908700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.356647800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.319901900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.134061100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.049817100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.255353700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.080020800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.016365800000 9.356073600000 3.974313100000 1.664514700000 0.691303500000 0.286313500000 -0.013011700000 0.000000000000 0.000000000000 0.000000000000 -0.011401300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.030985000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.003771900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.044918800000 2.112031300000 0.778076900000 0.327710100000 0.144946500000 0.022807200000 0.000000000000 0.000000000000 0.040525900000 0.000000000000 0.000000000000 0.000000000000 0.008201300000 0.000000000000 0.000000000000 0.000000000000 0.002447100000 1.058271800000 0.401000000000 0.008749800000 0.003614500000 0.651430000000 -0.001238900000 B: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 4.192619000000 1.138224000000 0.309008000000 0.056572000000 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 1.354044000000 0.650325000000 0.312340000000 0.150012000000 0.050296000000 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 3.778629000000 1.406891000000 0.523825000000 0.228104000000 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 1.679928000000 0.580150000000 0.199135000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.624505000000 1.000000000000 B: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 2.267148000000 0.880079000000 0.244788000000 0.046164000000 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 2.484142000000 0.752855000000 0.419074000000 0.115608000000 0.040116000000 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 4.847375000000 1.397498000000 0.393664000000 0.090864000000 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 1.884032000000 0.878780000000 0.270071000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.022372000000 0.375331000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 B: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 1.254695000000 0.313912000000 0.122949000000 0.047837000000 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 2.510235000000 1.113894000000 0.336201000000 0.096867000000 0.028181000000 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 1.661603000000 0.602361000000 0.259143000000 0.071125000000 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 2.320429000000 0.588390000000 0.207583000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.174695000000 0.449602000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 0.771535000000 1.000000000000 B: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 3.031807000000 0.783985000000 0.272763000000 0.104872000000 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 2.884858000000 1.290632000000 0.437892000000 0.184504000000 0.074635000000 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 4.809839000000 3.102728000000 1.234289000000 0.474035000000 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 3.441814000000 0.808695000000 0.350042000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.177959000000 0.692494000000 0.103515000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.326235000000 0.256227000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 0.850725000000 1.000000000000 B: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 3.835311000000 1.418319000000 0.232275000000 0.051302000000 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 2.106902000000 0.445315000000 0.137555000000 0.039559000000 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 2.410297000000 1.262179000000 0.448153000000 0.154564000000 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 1.828500000000 0.743101000000 0.302262000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.694020000000 1.000000000000 B: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 1.153942000000 0.288342000000 0.111314000000 0.046427000000 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 2.317426000000 0.760914000000 0.300824000000 0.105550000000 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 2.447013000000 0.943148000000 0.316794000000 0.109866000000 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 2.826318000000 1.530104000000 0.493685000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 1.148520000000 0.454179000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 B: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 2.110533000000 0.742070000000 0.266725000000 0.110391000000 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 3.505889000000 1.079922000000 0.442990000000 0.188999000000 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 5.616678000000 1.561377000000 0.638932000000 0.233116000000 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 3.158485000000 0.645411000000 0.244068000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 2.475701000000 0.497758000000 1.000000000000 0.000000000000 0.000000000000 1.000000000000 0.791328000000 1.000000000000