MOLPRO Basis Query, element=Fe, basis=V5Z, l=s
Basis Fe s V5Z
| Primitives | Contractions... |
|---|
| 149769000.000000 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000000 | -0.000000 | 0.000000 |
| 26722500.000000 | 0.000001 | -0.000000 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000000 | -0.000000 | 0.000000 |
| 5959000.000000 | 0.000003 | -0.000002 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000000 | -0.000000 | 0.000000 |
| 1593610.000000 | 0.000015 | -0.000008 | 0.000002 | -0.000000 | -0.000001 | -0.000001 | 0.000002 | -0.000002 | 0.000000 |
| 493464.000000 | 0.000059 | -0.000031 | 0.000007 | -0.000002 | -0.000003 | -0.000005 | 0.000006 | -0.000007 | 0.000000 |
| 171790.000000 | 0.000201 | -0.000104 | 0.000024 | -0.000005 | -0.000010 | -0.000017 | 0.000022 | -0.000025 | 0.000000 |
| 65620.900000 | 0.000615 | -0.000318 | 0.000073 | -0.000016 | -0.000032 | -0.000053 | 0.000063 | -0.000075 | 0.000000 |
| 26965.600000 | 0.001731 | -0.000895 | 0.000206 | -0.000045 | -0.000087 | -0.000143 | 0.000187 | -0.000213 | 0.000000 |
| 11735.300000 | 0.004569 | -0.002368 | 0.000545 | -0.000118 | -0.000239 | -0.000397 | 0.000467 | -0.000559 | 0.000000 |
| 5343.430000 | 0.011398 | -0.005937 | 0.001373 | -0.000297 | -0.000579 | -0.000945 | 0.001260 | -0.001423 | 0.000000 |
| 2522.500000 | 0.026868 | -0.014145 | 0.003293 | -0.000712 | -0.001450 | -0.002419 | 0.002794 | -0.003375 | 0.000000 |
| 1226.430000 | 0.059108 | -0.031784 | 0.007521 | -0.001628 | -0.003151 | -0.005135 | 0.006993 | -0.007838 | 0.000000 |
| 611.269000 | 0.117843 | -0.066046 | 0.016047 | -0.003473 | -0.007133 | -0.011952 | 0.013473 | -0.016542 | 0.000000 |
| 311.308000 | 0.201376 | -0.122270 | 0.031303 | -0.006786 | -0.012991 | -0.021094 | 0.029963 | -0.033194 | 0.000000 |
| 161.624000 | 0.266077 | -0.188692 | 0.052529 | -0.011404 | -0.023998 | -0.040758 | 0.043041 | -0.055331 | 0.000000 |
| 85.376700 | 0.225986 | -0.209097 | 0.066053 | -0.014420 | -0.026065 | -0.041371 | 0.071140 | -0.074317 | 0.000000 |
| 45.791100 | 0.098939 | -0.096989 | 0.032494 | -0.007112 | -0.020372 | -0.038734 | 0.009911 | -0.035763 | 0.000000 |
| 24.867700 | 0.049326 | 0.173192 | -0.084768 | 0.018752 | 0.050157 | 0.093456 | -0.036358 | 0.095553 | 0.000000 |
| 13.620200 | 0.086044 | 0.462477 | -0.295018 | 0.068001 | 0.117197 | 0.192200 | -0.443573 | 0.492046 | 0.000000 |
| 7.481060 | 0.073225 | 0.399834 | -0.370955 | 0.088975 | 0.237638 | 0.489803 | -0.515965 | 1.209239 | 0.000000 |
| 4.088170 | 0.021174 | 0.115241 | -0.034648 | 0.005376 | -0.072874 | -0.242089 | 0.327652 | -2.533106 | 0.000000 |
| 2.199050 | 0.001623 | 0.008409 | 0.446249 | -0.126246 | -0.249589 | -0.876462 | 2.900363 | -2.327719 | 0.000000 |
| 1.148150 | 0.000001 | -0.001297 | 0.571759 | -0.204778 | -0.731722 | -1.074452 | -2.838223 | 8.195417 | 0.000000 |
| 0.577265 | -0.000060 | -0.000755 | 0.234868 | -0.181337 | 0.256243 | 2.351773 | -1.043059 | -7.244881 | 0.000000 |
| 0.197635 | -0.000001 | -0.000069 | 0.015062 | 0.089268 | 1.356061 | 0.524043 | 4.531665 | 3.129246 | 0.000000 |
| 0.108986 | 0.000010 | 0.000088 | -0.003437 | 0.415235 | 0.058741 | -2.251726 | -3.269962 | 1.161362 | 0.000000 |
| 0.053216 | 0.000009 | 0.000033 | 0.003254 | 0.498048 | -0.562392 | 0.269589 | -1.026061 | -3.875824 | 0.000000 |
| 0.025571 | 0.000004 | 0.000022 | 0.000135 | 0.159834 | -0.574620 | 0.936830 | 1.462203 | 2.059613 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)