MOLPRO Basis Query, element=Lr, basis=cc-pwCVQZ-X2C, l=d
Basis Lr d cc-pwCVQZ-X2C
| Primitives | Contractions... |
|---|
| 862533.080000 | 0.000002 | -0.000001 | 0.000001 | -0.000000 | -0.000000 | 0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 198266.960000 | 0.000012 | -0.000005 | 0.000003 | -0.000001 | -0.000002 | 0.000002 | -0.000002 | -0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 61277.083000 | 0.000057 | -0.000021 | 0.000015 | -0.000004 | -0.000007 | 0.000008 | -0.000010 | -0.000014 | 0.000000 | 0.000000 | 0.000000 |
| 22382.680000 | 0.000234 | -0.000086 | 0.000060 | -0.000016 | -0.000030 | 0.000035 | -0.000040 | -0.000031 | 0.000000 | 0.000000 | 0.000000 |
| 9188.232200 | 0.000885 | -0.000328 | 0.000228 | -0.000060 | -0.000113 | 0.000126 | -0.000160 | -0.000231 | 0.000000 | 0.000000 | 0.000000 |
| 4127.306700 | 0.003121 | -0.001162 | 0.000808 | -0.000213 | -0.000404 | 0.000474 | -0.000536 | -0.000409 | 0.000000 | 0.000000 | 0.000000 |
| 1993.323900 | 0.010178 | -0.003825 | 0.002652 | -0.000701 | -0.001311 | 0.001468 | -0.001854 | -0.002680 | 0.000000 | 0.000000 | 0.000000 |
| 1018.875100 | 0.029949 | -0.011363 | 0.007874 | -0.002077 | -0.003939 | 0.004631 | -0.005242 | -0.004043 | 0.000000 | 0.000000 | 0.000000 |
| 543.614170 | 0.077658 | -0.030044 | 0.020752 | -0.005491 | -0.010268 | 0.011482 | -0.014535 | -0.021128 | 0.000000 | 0.000000 | 0.000000 |
| 300.142360 | 0.168914 | -0.066388 | 0.045804 | -0.012094 | -0.022973 | 0.027140 | -0.030451 | -0.021744 | 0.000000 | 0.000000 | 0.000000 |
| 169.784670 | 0.287680 | -0.112021 | 0.077312 | -0.020477 | -0.038222 | 0.042261 | -0.055269 | -0.089685 | 0.000000 | 0.000000 | 0.000000 |
| 97.866671 | 0.350286 | -0.119963 | 0.083772 | -0.021936 | -0.042349 | 0.052907 | -0.054689 | -0.004581 | 0.000000 | 0.000000 | 0.000000 |
| 57.003852 | 0.248591 | 0.010723 | -0.004702 | 0.002029 | 0.006161 | -0.015756 | 0.000857 | -0.115711 | 0.000000 | 0.000000 | 0.000000 |
| 33.259894 | 0.053491 | 0.268268 | -0.173260 | 0.048615 | 0.089524 | -0.095369 | 0.164563 | 0.434593 | 0.000000 | 0.000000 | 0.000000 |
| 19.409150 | -0.063293 | 0.443383 | -0.299144 | 0.082597 | 0.166595 | -0.220319 | 0.192572 | -0.208385 | 0.000000 | 0.000000 | 0.000000 |
| 11.325140 | -0.055162 | 0.311501 | -0.108503 | 0.024145 | 0.028780 | 0.007095 | 0.143948 | 0.974897 | 0.000000 | 0.000000 | 0.000000 |
| 6.524357 | -0.016105 | 0.089546 | 0.311394 | -0.111794 | -0.198243 | 0.229360 | -0.729788 | -2.765600 | 0.000000 | 0.000000 | 0.000000 |
| 3.662349 | -0.001211 | 0.007364 | 0.496094 | -0.170900 | -0.446955 | 0.853622 | -0.728779 | 2.318810 | 0.000000 | 0.000000 | 0.000000 |
| 1.969075 | 0.000103 | -0.000239 | 0.308099 | -0.065181 | 0.021219 | -1.084230 | 2.481910 | 0.426680 | 0.000000 | 0.000000 | 0.000000 |
| 0.995708 | 0.000047 | -0.000145 | 0.074276 | 0.189593 | 0.872453 | -0.508010 | -1.837650 | -2.389790 | 0.000000 | 0.000000 | 0.000000 |
| 0.450474 | -0.000003 | 0.000004 | 0.004575 | 0.418054 | 0.163352 | 1.155560 | -0.036846 | 2.621250 | 0.000000 | 0.000000 | 0.000000 |
| 0.193951 | 0.000001 | -0.000001 | 0.000293 | 0.408881 | -0.529366 | -0.032249 | 1.176640 | -1.817340 | 0.000000 | 0.000000 | 0.000000 |
| 0.081251 | -0.000001 | 0.000003 | -0.000023 | 0.204114 | -0.312919 | -0.626809 | -0.828933 | 0.505360 | 0.000000 | 0.000000 | 0.000000 |
| 0.031609 | 0.000000 | -0.000000 | 0.000019 | 0.027851 | -0.043215 | -0.091209 | -0.178603 | 0.368787 | 1.000000 | 0.000000 | 0.000000 |
| 13.696572 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 8.058364 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)