MOLPRO Basis Query, element=Ac, basis=cc-pVQZ-DK3, l=s
Basis Ac s cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 58020274.000000 | 0.001751 | -0.000322 | -0.000673 | -0.000118 | 0.000102 | -0.000039 | 0.000012 | 0.000037 | 0.000039 | 0.000059 | -0.000069 | 0.000000 |
| 15446459.000000 | 0.001545 | -0.000284 | -0.000593 | -0.000104 | 0.000090 | -0.000034 | 0.000011 | 0.000033 | 0.000035 | 0.000052 | -0.000061 | 0.000000 |
| 5287611.300000 | 0.004467 | -0.000822 | -0.001718 | -0.000303 | 0.000262 | -0.000100 | 0.000031 | 0.000095 | 0.000101 | 0.000150 | -0.000177 | 0.000000 |
| 2013719.000000 | 0.005577 | -0.001030 | -0.002151 | -0.000379 | 0.000327 | -0.000125 | 0.000039 | 0.000119 | 0.000126 | 0.000189 | -0.000222 | 0.000000 |
| 842188.310000 | 0.011000 | -0.002043 | -0.004260 | -0.000752 | 0.000649 | -0.000247 | 0.000077 | 0.000236 | 0.000250 | 0.000373 | -0.000439 | 0.000000 |
| 374055.040000 | 0.015090 | -0.002830 | -0.005886 | -0.001041 | 0.000898 | -0.000342 | 0.000106 | 0.000327 | 0.000346 | 0.000519 | -0.000610 | 0.000000 |
| 175473.090000 | 0.025709 | -0.004881 | -0.010120 | -0.001793 | 0.001548 | -0.000590 | 0.000183 | 0.000563 | 0.000595 | 0.000884 | -0.001043 | 0.000000 |
| 85823.393000 | 0.036109 | -0.006998 | -0.014434 | -0.002568 | 0.002214 | -0.000843 | 0.000262 | 0.000805 | 0.000854 | 0.001289 | -0.001511 | 0.000000 |
| 43623.480000 | 0.057036 | -0.011331 | -0.023230 | -0.004151 | 0.003577 | -0.001362 | 0.000423 | 0.001300 | 0.001372 | 0.002017 | -0.002388 | 0.000000 |
| 22891.347000 | 0.079587 | -0.016445 | -0.033407 | -0.006014 | 0.005175 | -0.001971 | 0.000612 | 0.001881 | 0.002004 | 0.003077 | -0.003590 | 0.000000 |
| 12345.854000 | 0.118303 | -0.025658 | -0.051568 | -0.009371 | 0.008049 | -0.003064 | 0.000951 | 0.002924 | 0.003068 | 0.004385 | -0.005239 | 0.000000 |
| 6806.791500 | 0.156661 | -0.036608 | -0.072484 | -0.013362 | 0.011449 | -0.004359 | 0.001354 | 0.004162 | 0.004477 | 0.007171 | -0.008271 | 0.000000 |
| 3831.490700 | 0.203094 | -0.051905 | -0.101197 | -0.019006 | 0.016226 | -0.006173 | 0.001916 | 0.005889 | 0.006076 | 0.007957 | -0.009778 | 0.000000 |
| 2203.649400 | 0.212700 | -0.061008 | -0.117045 | -0.022506 | 0.019148 | -0.007290 | 0.002264 | 0.006968 | 0.007762 | 0.014258 | -0.015894 | 0.000000 |
| 1295.747900 | 0.188374 | -0.055270 | -0.105592 | -0.020394 | 0.017315 | -0.006574 | 0.002040 | 0.006259 | 0.005752 | 0.002471 | -0.004952 | 0.000000 |
| 777.677620 | 0.100899 | -0.007478 | -0.014619 | 0.000144 | 0.000319 | -0.000159 | 0.000052 | 0.000178 | 0.002158 | 0.017093 | -0.015408 | 0.000000 |
| 477.300180 | 0.038168 | 0.077417 | 0.165171 | 0.048432 | -0.039084 | 0.014893 | -0.004637 | -0.014373 | -0.019705 | -0.060390 | 0.061964 | 0.000000 |
| 298.428050 | -0.007543 | 0.155217 | 0.401033 | 0.127762 | -0.102270 | 0.038743 | -0.012036 | -0.036938 | -0.029974 | 0.019674 | -0.002553 | 0.000000 |
| 193.422670 | 0.005380 | 0.137300 | 0.482047 | 0.174188 | -0.138924 | 0.053121 | -0.016560 | -0.051595 | -0.072369 | -0.228696 | 0.238821 | 0.000000 |
| 126.166160 | -0.007027 | 0.099078 | 0.389723 | 0.152562 | -0.121953 | 0.046403 | -0.014420 | -0.043685 | -0.020488 | 0.147270 | -0.131311 | 0.000000 |
| 78.275254 | -0.009236 | 0.136311 | -0.083750 | -0.112115 | 0.087532 | -0.033613 | 0.010459 | 0.031475 | -0.003839 | -0.264917 | 0.250580 | 0.000000 |
| 49.472825 | -0.039608 | 0.278012 | -0.581342 | -0.598863 | 0.510297 | -0.205969 | 0.064789 | 0.205196 | 0.281814 | 0.832334 | -0.965722 | 0.000000 |
| 30.424788 | -0.027294 | 0.225419 | -0.494894 | -0.603165 | 0.513003 | -0.205519 | 0.064438 | 0.199326 | 0.130893 | -0.383326 | 0.436741 | 0.000000 |
| 18.445441 | -0.010051 | 0.063715 | -0.120046 | 0.092063 | -0.097059 | 0.037139 | -0.011282 | -0.041488 | 0.073968 | 1.022740 | -1.198110 | 0.000000 |
| 11.313354 | 0.000925 | 0.005111 | 0.043978 | 0.678344 | -0.923064 | 0.464363 | -0.151473 | -0.486996 | -0.784064 | -2.997250 | 4.375780 | 0.000000 |
| 6.956166 | -0.000899 | 0.000609 | 0.035433 | 0.417041 | -0.862610 | 0.472545 | -0.154460 | -0.560228 | -0.330960 | 2.389700 | -5.171560 | 0.000000 |
| 4.303209 | 0.000736 | -0.000086 | 0.007862 | 0.132866 | 0.139451 | -0.138633 | 0.046310 | 0.387971 | 0.326331 | -3.368940 | 8.666490 | 0.000000 |
| 2.557609 | -0.000485 | 0.000199 | 0.001417 | 0.121082 | 0.806980 | -0.717379 | 0.260089 | 0.575438 | 0.843885 | 8.343150 | -25.075000 | 0.000000 |
| 1.555656 | 0.000306 | 0.000082 | 0.000170 | 0.069032 | 0.500821 | -0.668680 | 0.267368 | 1.813500 | 2.912520 | -4.202600 | 40.649200 | 0.000000 |
| 0.937105 | -0.000199 | 0.000038 | 0.000204 | 0.015387 | 0.107282 | 0.034942 | -0.034944 | -1.766530 | -5.821920 | -10.100700 | -32.469400 | 0.000000 |
| 0.537299 | 0.000114 | -0.000002 | -0.000075 | 0.002114 | 0.021629 | 0.652098 | -0.342249 | -2.100320 | 0.263803 | 15.851400 | 7.388910 | 0.000000 |
| 0.309070 | -0.000071 | 0.000005 | 0.000060 | 0.001871 | 0.015419 | 0.594736 | -0.418853 | 1.007640 | 4.128500 | -6.627330 | 11.705000 | 0.000000 |
| 0.174161 | 0.000043 | -0.000001 | -0.000030 | 0.000299 | 0.003971 | 0.161688 | -0.201361 | 1.168820 | 0.016095 | -3.655930 | -14.153700 | 0.000000 |
| 0.102855 | -0.000023 | 0.000001 | 0.000018 | 0.000095 | 0.000240 | 0.007247 | 0.199476 | 0.610953 | -2.876520 | 3.241820 | 4.857420 | 0.000000 |
| 0.054243 | 0.000009 | -0.000000 | -0.000007 | -0.000026 | 0.000032 | 0.004707 | 0.553963 | -0.399338 | -0.151883 | 1.226290 | 1.925240 | 0.000000 |
| 0.028973 | -0.000004 | 0.000000 | 0.000003 | 0.000012 | 0.000016 | 0.002059 | 0.473935 | -0.555905 | 1.086890 | -1.174220 | -1.115000 | 0.000000 |
| 0.015262 | 0.000001 | -0.000000 | -0.000001 | -0.000002 | 0.000003 | 0.000603 | 0.097172 | -0.110940 | 0.220353 | -0.212583 | -0.356831 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)