MOLPRO Basis Query, element=Ho, basis=cc-pVQZ-DK3, l=s
Basis Ho s cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 67766770.000000 | 0.000392 | -0.000193 | 0.000116 | -0.000028 | 0.000014 | -0.000007 | -0.000013 | 0.000019 | 0.000023 | -0.000023 | 0.000000 |
| 18041750.000000 | 0.000380 | -0.000187 | 0.000112 | -0.000027 | 0.000014 | -0.000006 | -0.000012 | 0.000018 | 0.000023 | -0.000022 | 0.000000 |
| 6193469.000000 | 0.001094 | -0.000539 | 0.000324 | -0.000078 | 0.000040 | -0.000018 | -0.000036 | 0.000053 | 0.000066 | -0.000064 | 0.000000 |
| 2371143.000000 | 0.001505 | -0.000742 | 0.000446 | -0.000108 | 0.000055 | -0.000025 | -0.000049 | 0.000073 | 0.000090 | -0.000089 | 0.000000 |
| 994390.000000 | 0.002991 | -0.001478 | 0.000889 | -0.000215 | 0.000110 | -0.000051 | -0.000099 | 0.000145 | 0.000180 | -0.000176 | 0.000000 |
| 441111.700000 | 0.004553 | -0.002256 | 0.001360 | -0.000329 | 0.000168 | -0.000077 | -0.000151 | 0.000223 | 0.000276 | -0.000271 | 0.000000 |
| 204904.500000 | 0.008033 | -0.003995 | 0.002414 | -0.000584 | 0.000299 | -0.000137 | -0.000268 | 0.000396 | 0.000490 | -0.000476 | 0.000000 |
| 98310.670000 | 0.012806 | -0.006409 | 0.003886 | -0.000941 | 0.000481 | -0.000221 | -0.000432 | 0.000637 | 0.000788 | -0.000780 | 0.000000 |
| 48472.330000 | 0.021748 | -0.010974 | 0.006686 | -0.001623 | 0.000830 | -0.000382 | -0.000745 | 0.001100 | 0.001364 | -0.001312 | 0.000000 |
| 24447.110000 | 0.035451 | -0.018126 | 0.011124 | -0.002707 | 0.001384 | -0.000637 | -0.001243 | 0.001830 | 0.002264 | -0.002268 | 0.000000 |
| 12588.100000 | 0.059009 | -0.030750 | 0.019075 | -0.004662 | 0.002382 | -0.001096 | -0.002141 | 0.003162 | 0.003926 | -0.003718 | 0.000000 |
| 6605.899000 | 0.094652 | -0.050853 | 0.032070 | -0.007887 | 0.004028 | -0.001853 | -0.003617 | 0.005324 | 0.006578 | -0.006732 | 0.000000 |
| 3528.919000 | 0.146235 | -0.082388 | 0.053292 | -0.013241 | 0.006758 | -0.003110 | -0.006079 | 0.008992 | 0.011196 | -0.010306 | 0.000000 |
| 1916.785000 | 0.201571 | -0.122901 | 0.082695 | -0.020867 | 0.010639 | -0.004895 | -0.009554 | 0.014044 | 0.017317 | -0.018470 | 0.000000 |
| 1057.403000 | 0.228700 | -0.157195 | 0.111981 | -0.028951 | 0.014738 | -0.006783 | -0.013287 | 0.019748 | 0.024761 | -0.021006 | 0.000000 |
| 591.761800 | 0.182033 | -0.141655 | 0.106817 | -0.028327 | 0.014396 | -0.006623 | -0.012906 | 0.018801 | 0.022855 | -0.029708 | 0.000000 |
| 335.647900 | 0.090618 | -0.025141 | 0.004765 | 0.000330 | -0.000116 | 0.000049 | 0.000028 | 0.000479 | 0.001671 | 0.014406 | 0.000000 |
| 192.348600 | 0.048146 | 0.183984 | -0.247435 | 0.083699 | -0.042097 | 0.019421 | 0.038514 | -0.058720 | -0.076784 | 0.040863 | 0.000000 |
| 112.751800 | 0.055830 | 0.309062 | -0.520353 | 0.198415 | -0.099589 | 0.045952 | 0.090507 | -0.132489 | -0.162376 | 0.245768 | 0.000000 |
| 67.314810 | 0.038989 | 0.218660 | -0.479232 | 0.204137 | -0.102637 | 0.047534 | 0.096372 | -0.152173 | -0.205152 | 0.018669 | 0.000000 |
| 41.395900 | 0.017853 | 0.105755 | -0.043655 | 0.005930 | -0.004480 | 0.002045 | 0.000260 | 0.015263 | 0.025572 | 0.422610 | 0.000000 |
| 26.523280 | 0.015799 | 0.138495 | 0.463637 | -0.391038 | 0.206644 | -0.096921 | -0.191413 | 0.264347 | 0.338324 | -1.212510 | 0.000000 |
| 17.080560 | 0.017761 | 0.150457 | 0.586878 | -0.649704 | 0.353353 | -0.167604 | -0.388910 | 0.722355 | 1.223720 | -0.429634 | 0.000000 |
| 10.673750 | 0.008228 | 0.075331 | 0.291658 | -0.287215 | 0.146780 | -0.068217 | -0.111414 | 0.055830 | -0.242397 | -0.671331 | 0.000000 |
| 6.334991 | 0.001284 | 0.008534 | 0.017090 | 0.456579 | -0.297036 | 0.144509 | 0.421521 | -0.885415 | -1.835830 | 5.591250 | 0.000000 |
| 3.806236 | -0.000436 | -0.003673 | -0.040321 | 0.686211 | -0.587156 | 0.304766 | 0.796680 | -1.580190 | -3.032750 | -2.580010 | 0.000000 |
| 2.257817 | -0.000069 | -0.001875 | -0.017503 | 0.291517 | -0.379355 | 0.205222 | 0.351307 | 0.672142 | 7.317790 | -8.677040 | 0.000000 |
| 1.324222 | -0.000071 | -0.000240 | -0.003020 | 0.053676 | 0.177977 | -0.112378 | -1.289940 | 2.978030 | -1.316670 | 12.238600 | 0.000000 |
| 0.739123 | 0.000016 | -0.000161 | -0.001154 | 0.040076 | 0.563363 | -0.367872 | -0.835324 | -0.851328 | -5.249300 | -3.552950 | 0.000000 |
| 0.414083 | -0.000021 | -0.000053 | -0.000824 | 0.028011 | 0.407082 | -0.377035 | 0.349284 | -2.156920 | 2.413510 | -5.132940 | 0.000000 |
| 0.228835 | 0.000007 | -0.000032 | -0.000162 | 0.006088 | 0.070606 | -0.204823 | 0.621595 | -0.239196 | 2.589670 | 4.122840 | 0.000000 |
| 0.129309 | -0.000004 | 0.000005 | -0.000032 | 0.001173 | 0.039171 | 0.150097 | 0.814608 | 1.593700 | -1.354950 | 1.801690 | 0.000000 |
| 0.062910 | 0.000001 | -0.000010 | -0.000059 | 0.003225 | 0.117439 | 0.516846 | 0.029398 | 0.613466 | -1.417280 | -3.165350 | 0.000000 |
| 0.031959 | -0.000001 | -0.000004 | -0.000054 | 0.002819 | 0.105048 | 0.467621 | -0.640870 | -0.723180 | 0.586163 | 0.219937 | 0.000000 |
| 0.016139 | 0.000000 | -0.000001 | -0.000011 | 0.000573 | 0.021128 | 0.094202 | -0.264135 | -0.389863 | 0.502086 | 0.987294 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
| 