MOLPRO Basis Query, element=Er, basis=cc-pwCVTZ-X2C, l=d
Basis Er d cc-pwCVTZ-X2C
Primitives | Contractions... |
13207.390000 | 0.000092 | -0.000043 | 0.000009 | 0.000018 | -0.000024 | -0.000033 | 0.000000 | 0.000000 | 0.000000 |
3391.393000 | 0.000733 | -0.000342 | 0.000073 | 0.000154 | -0.000237 | -0.000233 | 0.000000 | 0.000000 | 0.000000 |
1202.594000 | 0.004230 | -0.001980 | 0.000421 | 0.000855 | -0.001104 | -0.001526 | 0.000000 | 0.000000 | 0.000000 |
503.268500 | 0.018897 | -0.008923 | 0.001905 | 0.004006 | -0.006108 | -0.006107 | 0.000000 | 0.000000 | 0.000000 |
232.595200 | 0.064881 | -0.030986 | 0.006611 | 0.013414 | -0.017457 | -0.023941 | 0.000000 | 0.000000 | 0.000000 |
114.660000 | 0.168180 | -0.081964 | 0.017560 | 0.037005 | -0.057040 | -0.056019 | 0.000000 | 0.000000 | 0.000000 |
58.922040 | 0.307957 | -0.148489 | 0.031698 | 0.064036 | -0.079009 | -0.118422 | 0.000000 | 0.000000 | 0.000000 |
31.053330 | 0.367792 | -0.159896 | 0.033802 | 0.075457 | -0.140142 | -0.112697 | 0.000000 | 0.000000 | 0.000000 |
16.571540 | 0.230611 | 0.026631 | -0.011021 | -0.033207 | 0.110903 | 0.000895 | 1.000000 | 0.000000 | 0.000000 |
8.713027 | 0.055399 | 0.346080 | -0.085710 | -0.169691 | 0.230133 | 0.780303 | 0.000000 | 1.000000 | 0.000000 |
4.458206 | -0.001678 | 0.462746 | -0.113985 | -0.304055 | 0.648071 | -0.056026 | 0.000000 | 0.000000 | 0.000000 |
2.198460 | -0.002838 | 0.261332 | -0.018342 | 0.076622 | -1.204230 | -1.654120 | 0.000000 | 0.000000 | 0.000000 |
0.980454 | -0.000610 | 0.048454 | 0.206732 | 0.845974 | -0.112526 | 2.031960 | 0.000000 | 0.000000 | 0.000000 |
0.401599 | 0.000031 | 0.000644 | 0.415927 | 0.034035 | 1.113350 | -1.126880 | 0.000000 | 0.000000 | 0.000000 |
0.153061 | -0.000015 | 0.000659 | 0.434195 | -0.544223 | -0.507676 | -0.098739 | 0.000000 | 0.000000 | 0.000000 |
0.054200 | 0.000006 | -0.000135 | 0.202318 | -0.240837 | -0.300264 | 0.589372 | 0.000000 | 0.000000 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)