MOLPRO Basis Query, element=U, basis=cc-pwCVTZ-X2C, l=s
Basis U s cc-pwCVTZ-X2C
| Primitives | Contractions... |
|---|
| 56688627.000000 | 0.002933 | -0.000720 | -0.001081 | -0.000171 | 0.000152 | -0.000068 | 0.000031 | 0.000057 | -0.000074 | -0.000095 | 0.000000 | 0.000000 | 0.000000 |
| 15089297.000000 | 0.001922 | -0.000473 | -0.000710 | -0.000112 | 0.000100 | -0.000045 | 0.000020 | 0.000038 | -0.000049 | -0.000062 | 0.000000 | 0.000000 | 0.000000 |
| 5160475.200000 | 0.006214 | -0.001531 | -0.002297 | -0.000363 | 0.000322 | -0.000145 | 0.000065 | 0.000121 | -0.000157 | -0.000201 | 0.000000 | 0.000000 | 0.000000 |
| 1961614.300000 | 0.006316 | -0.001567 | -0.002349 | -0.000372 | 0.000330 | -0.000149 | 0.000067 | 0.000124 | -0.000161 | -0.000206 | 0.000000 | 0.000000 | 0.000000 |
| 817952.530000 | 0.013523 | -0.003365 | -0.005043 | -0.000799 | 0.000709 | -0.000319 | 0.000143 | 0.000267 | -0.000346 | -0.000442 | 0.000000 | 0.000000 | 0.000000 |
| 361558.030000 | 0.016464 | -0.004155 | -0.006215 | -0.000988 | 0.000875 | -0.000394 | 0.000177 | 0.000330 | -0.000427 | -0.000546 | 0.000000 | 0.000000 | 0.000000 |
| 168272.560000 | 0.029831 | -0.007597 | -0.011350 | -0.001808 | 0.001601 | -0.000721 | 0.000323 | 0.000603 | -0.000782 | -0.001000 | 0.000000 | 0.000000 | 0.000000 |
| 81257.576000 | 0.040196 | -0.010486 | -0.015617 | -0.002502 | 0.002210 | -0.000996 | 0.000446 | 0.000835 | -0.001079 | -0.001378 | 0.000000 | 0.000000 | 0.000000 |
| 40487.578000 | 0.066999 | -0.017843 | -0.026511 | -0.004270 | 0.003765 | -0.001697 | 0.000761 | 0.001417 | -0.001840 | -0.002355 | 0.000000 | 0.000000 | 0.000000 |
| 20659.489000 | 0.094641 | -0.026253 | -0.038818 | -0.006312 | 0.005547 | -0.002500 | 0.001120 | 0.002100 | -0.002707 | -0.003455 | 0.000000 | 0.000000 | 0.000000 |
| 10754.051000 | 0.145408 | -0.042188 | -0.062118 | -0.010223 | 0.008948 | -0.004034 | 0.001807 | 0.003358 | -0.004377 | -0.005609 | 0.000000 | 0.000000 | 0.000000 |
| 5689.849800 | 0.193116 | -0.060482 | -0.088464 | -0.014829 | 0.012896 | -0.005813 | 0.002606 | 0.004907 | -0.006289 | -0.008015 | 0.000000 | 0.000000 | 0.000000 |
| 3054.738800 | 0.240259 | -0.082200 | -0.119688 | -0.020566 | 0.017738 | -0.008001 | 0.003583 | 0.006606 | -0.008702 | -0.011187 | 0.000000 | 0.000000 | 0.000000 |
| 1661.710600 | 0.222497 | -0.081923 | -0.118728 | -0.020709 | 0.017769 | -0.008007 | 0.003594 | 0.006900 | -0.008626 | -0.010918 | 0.000000 | 0.000000 | 0.000000 |
| 914.401130 | 0.142388 | -0.025048 | -0.033329 | -0.002904 | 0.003328 | -0.001503 | 0.000660 | 0.000830 | -0.001717 | -0.002379 | 0.000000 | 0.000000 | 0.000000 |
| 505.672650 | 0.033868 | 0.124508 | 0.222271 | 0.061571 | -0.046387 | 0.021037 | -0.009406 | -0.016774 | 0.023227 | 0.030419 | 0.000000 | 0.000000 | 0.000000 |
| 285.403990 | 0.000075 | 0.250180 | 0.556552 | 0.175034 | -0.128563 | 0.058315 | -0.026229 | -0.050988 | 0.063398 | 0.080986 | 0.000000 | 0.000000 | 0.000000 |
| 162.928890 | -0.004072 | 0.196895 | 0.585648 | 0.214468 | -0.154193 | 0.070411 | -0.031485 | -0.055389 | 0.078357 | 0.102961 | 0.000000 | 0.000000 | 0.000000 |
| 93.609383 | -0.006539 | 0.136270 | 0.002532 | -0.056148 | 0.033666 | -0.015941 | 0.006902 | 0.005257 | -0.020224 | -0.030393 | 0.000000 | 0.000000 | 0.000000 |
| 55.811596 | -0.031248 | 0.246938 | -0.690073 | -0.656708 | 0.468260 | -0.220759 | 0.100350 | 0.206958 | -0.251641 | -0.338738 | 0.000000 | 0.000000 | 0.000000 |
| 32.957255 | -0.021704 | 0.193453 | -0.584821 | -0.665652 | 0.476469 | -0.227375 | 0.101907 | 0.168189 | -0.265239 | -0.352529 | 0.000000 | 0.000000 | 0.000000 |
| 19.148698 | -0.006385 | 0.045159 | -0.085940 | 0.238707 | -0.200168 | 0.098750 | -0.043012 | -0.043105 | 0.156328 | 0.280948 | 0.000000 | 0.000000 | 0.000000 |
| 11.424216 | 0.002197 | -0.000089 | 0.111223 | 0.867213 | -1.042790 | 0.589722 | -0.278662 | -0.644454 | 0.765481 | 1.121780 | 0.000000 | 0.000000 | 0.000000 |
| 6.746272 | -0.000284 | -0.000151 | 0.053971 | 0.405913 | -0.648255 | 0.380009 | -0.172226 | -0.196380 | 0.444584 | 0.303921 | 1.000000 | 0.000000 | 0.000000 |
| 4.036519 | 0.000638 | -0.000244 | 0.005999 | 0.055638 | 0.584746 | -0.472476 | 0.221785 | 0.306308 | -0.902059 | -1.115520 | 0.000000 | 1.000000 | 0.000000 |
| 2.321731 | -0.000401 | 0.000434 | 0.000041 | 0.018812 | 0.848237 | -0.872625 | 0.470053 | 1.519570 | -2.022470 | -5.479660 | 0.000000 | 0.000000 | 0.000000 |
| 1.312031 | 0.000236 | -0.000029 | -0.000304 | 0.002991 | 0.237594 | -0.326403 | 0.147373 | -0.282823 | 0.713100 | 12.329400 | 0.000000 | 0.000000 | 0.000000 |
| 0.819487 | -0.000144 | 0.000068 | 0.000085 | 0.000688 | 0.032756 | 0.489225 | -0.274929 | -1.457590 | 4.671650 | -6.149490 | 0.000000 | 0.000000 | 0.000000 |
| 0.440565 | 0.000050 | -0.000017 | -0.000035 | -0.000431 | 0.031563 | 0.693170 | -0.562452 | -1.035240 | -4.122520 | -4.814230 | 0.000000 | 0.000000 | 0.000000 |
| 0.228416 | -0.000016 | 0.000007 | 0.000013 | -0.000018 | 0.009533 | 0.233411 | -0.283270 | 1.762270 | -0.484540 | 5.915950 | 0.000000 | 0.000000 | 0.000000 |
| 0.074821 | 0.000005 | -0.000002 | -0.000004 | -0.000049 | 0.001443 | 0.080626 | 0.419508 | 0.911373 | 2.652040 | -2.494180 | 0.000000 | 0.000000 | 0.000000 |
| 0.037306 | -0.000003 | 0.000001 | 0.000002 | -0.000024 | 0.001209 | 0.100331 | 0.612781 | -0.942506 | -1.115970 | -0.158770 | 0.000000 | 0.000000 | 0.000000 |
| 0.017804 | 0.000001 | -0.000000 | -0.000001 | -0.000015 | 0.000472 | 0.033076 | 0.194868 | -0.341167 | -0.563771 | 0.990836 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)