MOLPRO Basis Query, element=U, basis=ROOS_DZP, l=s
Basis U s ROOS_DZP
| Primitives | Contractions... |
|---|
| 54451891.100000 | 0.002207 | -0.000915 | 0.000447 | -0.000232 | 0.000115 | -0.000051 | 0.000016 | -0.000037 |
| 13888721.400000 | 0.002164 | -0.000899 | 0.000439 | -0.000228 | 0.000113 | -0.000050 | 0.000016 | -0.000036 |
| 4408873.420000 | 0.005958 | -0.002479 | 0.001211 | -0.000629 | 0.000311 | -0.000137 | 0.000044 | -0.000100 |
| 1513672.400000 | 0.009076 | -0.003797 | 0.001857 | -0.000964 | 0.000477 | -0.000210 | 0.000067 | -0.000154 |
| 553624.062000 | 0.017983 | -0.007570 | 0.003706 | -0.001925 | 0.000952 | -0.000420 | 0.000134 | -0.000306 |
| 211319.244000 | 0.030281 | -0.012906 | 0.006331 | -0.003290 | 0.001628 | -0.000718 | 0.000229 | -0.000525 |
| 83690.748300 | 0.054730 | -0.023737 | 0.011682 | -0.006074 | 0.003007 | -0.001327 | 0.000423 | -0.000967 |
| 34026.031700 | 0.094299 | -0.042181 | 0.020869 | -0.010872 | 0.005383 | -0.002374 | 0.000758 | -0.001736 |
| 14084.049100 | 0.163076 | -0.076524 | 0.038204 | -0.019930 | 0.009876 | -0.004360 | 0.001392 | -0.003171 |
| 5932.998990 | 0.254935 | -0.130043 | 0.065918 | -0.034573 | 0.017147 | -0.007561 | 0.002415 | -0.005549 |
| 2559.357680 | 0.319851 | -0.182978 | 0.094984 | -0.049987 | 0.024838 | -0.010987 | 0.003505 | -0.007935 |
| 1134.918250 | 0.234760 | -0.121706 | 0.060436 | -0.031714 | 0.015693 | -0.006869 | 0.002200 | -0.005250 |
| 515.305346 | 0.058677 | 0.237040 | -0.190809 | 0.113046 | -0.057836 | 0.025571 | -0.008194 | 0.019406 |
| 243.174276 | 0.000480 | 0.587936 | -0.591185 | 0.369057 | -0.192409 | 0.086363 | -0.027572 | 0.061568 |
| 118.688499 | 0.000691 | 0.307626 | -0.292559 | 0.198349 | -0.105580 | 0.046360 | -0.014982 | 0.038741 |
| 59.615931 | -0.000431 | 0.023457 | 0.763828 | -0.853134 | 0.519856 | -0.238624 | 0.077144 | -0.189743 |
| 30.286320 | 0.000223 | 0.002133 | 0.597475 | -0.837611 | 0.557735 | -0.271566 | 0.087151 | -0.180518 |
| 15.236545 | -0.000125 | -0.001295 | 0.047232 | 0.866608 | -0.851403 | 0.456425 | -0.148545 | 0.320084 |
| 7.684457 | 0.000074 | 0.000569 | 0.008069 | 0.777715 | -1.157250 | 0.671198 | -0.228245 | 0.619704 |
| 3.641045 | -0.000038 | -0.000284 | -0.004169 | 0.036778 | 0.992683 | -0.821079 | 0.297451 | -0.982326 |
| 1.703252 | 0.000019 | 0.000153 | 0.001997 | 0.008458 | 0.774806 | -0.965841 | 0.366790 | -0.651158 |
| 0.732596 | -0.000009 | -0.000069 | -0.000954 | -0.003919 | -0.002690 | 0.944754 | -0.448505 | 1.880927 |
| 0.287289 | 0.000004 | 0.000032 | 0.000475 | 0.001896 | 0.015095 | 0.707583 | -0.618431 | -0.255726 |
| 0.114916 | -0.000002 | -0.000017 | -0.000251 | -0.001043 | -0.008074 | -0.044001 | 0.345175 | -1.692165 |
| 0.045966 | 0.000001 | 0.000008 | 0.000116 | 0.000490 | 0.004222 | 0.035289 | 0.859489 | 0.567617 |
| 0.018386 | -0.000000 | -0.000002 | -0.000033 | -0.000139 | -0.001056 | -0.007942 | 0.134330 | 0.708419 |
Comment: B.O. Roos, R. Lindh, P.-A. Malmqvist, V. Veryazov, and P.-O. Widmark, Chem. Phys.Letters 409, 295 (2005)