MOLPRO Basis Query, element=Ac, basis=cc-pVQZ-X2C, l=s
Basis Ac s cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 58020274.000000 | 0.002387 | -0.000533 | -0.000930 | -0.000164 | 0.000141 | -0.000054 | 0.000017 | 0.000051 | 0.000054 | 0.000081 | -0.000096 | 0.000000 |
| 15446459.000000 | 0.001598 | -0.000358 | -0.000624 | -0.000110 | 0.000095 | -0.000036 | 0.000011 | 0.000035 | 0.000037 | 0.000055 | -0.000064 | 0.000000 |
| 5287611.300000 | 0.005146 | -0.001152 | -0.002010 | -0.000354 | 0.000306 | -0.000117 | 0.000036 | 0.000111 | 0.000118 | 0.000176 | -0.000207 | 0.000000 |
| 2013719.000000 | 0.005314 | -0.001197 | -0.002087 | -0.000368 | 0.000318 | -0.000121 | 0.000038 | 0.000116 | 0.000122 | 0.000183 | -0.000215 | 0.000000 |
| 842188.310000 | 0.011382 | -0.002571 | -0.004481 | -0.000791 | 0.000683 | -0.000260 | 0.000081 | 0.000248 | 0.000263 | 0.000392 | -0.000462 | 0.000000 |
| 374055.040000 | 0.013898 | -0.003178 | -0.005533 | -0.000979 | 0.000845 | -0.000322 | 0.000100 | 0.000307 | 0.000326 | 0.000488 | -0.000574 | 0.000000 |
| 175473.090000 | 0.025289 | -0.005828 | -0.010137 | -0.001798 | 0.001550 | -0.000591 | 0.000183 | 0.000564 | 0.000596 | 0.000886 | -0.001045 | 0.000000 |
| 85823.393000 | 0.033452 | -0.007878 | -0.013672 | -0.002436 | 0.002099 | -0.000800 | 0.000248 | 0.000763 | 0.000810 | 0.001223 | -0.001434 | 0.000000 |
| 43623.480000 | 0.055855 | -0.013378 | -0.023179 | -0.004145 | 0.003569 | -0.001360 | 0.000422 | 0.001297 | 0.001369 | 0.002013 | -0.002382 | 0.000000 |
| 22891.347000 | 0.076001 | -0.018874 | -0.032589 | -0.005874 | 0.005050 | -0.001924 | 0.000597 | 0.001836 | 0.001956 | 0.003007 | -0.003510 | 0.000000 |
| 12345.854000 | 0.117833 | -0.030300 | -0.052174 | -0.009481 | 0.008138 | -0.003099 | 0.000962 | 0.002958 | 0.003103 | 0.004437 | -0.005297 | 0.000000 |
| 6806.791500 | 0.153768 | -0.042208 | -0.072354 | -0.013339 | 0.011423 | -0.004350 | 0.001350 | 0.004154 | 0.004468 | 0.007161 | -0.008267 | 0.000000 |
| 3831.490700 | 0.204339 | -0.060204 | -0.102886 | -0.019297 | 0.016470 | -0.006268 | 0.001945 | 0.005980 | 0.006172 | 0.008095 | -0.009927 | 0.000000 |
| 2203.649400 | 0.209383 | -0.068625 | -0.116977 | -0.022480 | 0.019117 | -0.007280 | 0.002260 | 0.006959 | 0.007752 | 0.014253 | -0.015913 | 0.000000 |
| 1295.747900 | 0.189788 | -0.062978 | -0.107231 | -0.020672 | 0.017547 | -0.006665 | 0.002067 | 0.006346 | 0.005844 | 0.002593 | -0.005051 | 0.000000 |
| 777.677620 | 0.097621 | -0.010500 | -0.013457 | 0.000365 | 0.000130 | -0.000087 | 0.000029 | 0.000109 | 0.002084 | 0.017008 | -0.015394 | 0.000000 |
| 477.300180 | 0.044791 | 0.074915 | 0.163556 | 0.048124 | -0.038802 | 0.014790 | -0.004604 | -0.014274 | -0.019597 | -0.060274 | 0.061990 | 0.000000 |
| 298.428050 | -0.005832 | 0.156178 | 0.403022 | 0.128130 | -0.102532 | 0.038854 | -0.012068 | -0.037050 | -0.030092 | 0.019571 | -0.002736 | 0.000000 |
| 193.422670 | 0.014650 | 0.135652 | 0.480300 | 0.173847 | -0.138563 | 0.053000 | -0.016518 | -0.051477 | -0.072234 | -0.228613 | 0.239247 | 0.000000 |
| 126.166160 | -0.006570 | 0.099934 | 0.391764 | 0.153060 | -0.122301 | 0.046550 | -0.014462 | -0.043835 | -0.020651 | 0.147174 | -0.131922 | 0.000000 |
| 78.275254 | -0.001824 | 0.135871 | -0.084604 | -0.112171 | 0.087533 | -0.033620 | 0.010459 | 0.031492 | -0.003814 | -0.265087 | 0.251827 | 0.000000 |
| 49.472825 | -0.031296 | 0.280187 | -0.580074 | -0.598611 | 0.509798 | -0.205824 | 0.064728 | 0.205052 | 0.281617 | 0.832317 | -0.967200 | 0.000000 |
| 30.424788 | -0.017908 | 0.226339 | -0.495727 | -0.603742 | 0.513208 | -0.205651 | 0.064464 | 0.199492 | 0.131097 | -0.383363 | 0.438819 | 0.000000 |
| 18.445441 | -0.008639 | 0.064464 | -0.119569 | 0.091819 | -0.096680 | 0.036968 | -0.011225 | -0.041360 | 0.074057 | 1.023480 | -1.202330 | 0.000000 |
| 11.313354 | 0.001804 | 0.004840 | 0.043513 | 0.678405 | -0.922513 | 0.464131 | -0.151359 | -0.486666 | -0.783475 | -2.997150 | 4.381020 | 0.000000 |
| 6.956166 | -0.001375 | 0.000774 | 0.035848 | 0.417605 | -0.862977 | 0.472736 | -0.154485 | -0.560692 | -0.331805 | 2.389080 | -5.178500 | 0.000000 |
| 4.303209 | 0.001085 | -0.000227 | 0.007603 | 0.132784 | 0.139026 | -0.138238 | 0.046164 | 0.387842 | 0.326529 | -3.369530 | 8.679030 | 0.000000 |
| 2.557609 | -0.000713 | 0.000289 | 0.001602 | 0.120950 | 0.806870 | -0.717084 | 0.259905 | 0.574499 | 0.841812 | 8.339350 | -25.088300 | 0.000000 |
| 1.555656 | 0.000471 | 0.000022 | 0.000034 | 0.068883 | 0.501164 | -0.668973 | 0.267408 | 1.814810 | 2.915960 | -4.189080 | 40.646600 | 0.000000 |
| 0.937105 | -0.000298 | 0.000075 | 0.000288 | 0.015408 | 0.107338 | 0.034476 | -0.034731 | -1.765570 | -5.821130 | -10.114200 | -32.445200 | 0.000000 |
| 0.537299 | 0.000172 | -0.000024 | -0.000125 | 0.002090 | 0.021677 | 0.651882 | -0.341949 | -2.101260 | 0.259896 | 15.853000 | 7.357620 | 0.000000 |
| 0.309070 | -0.000106 | 0.000019 | 0.000091 | 0.001883 | 0.015415 | 0.595022 | -0.418866 | 1.006980 | 4.128480 | -6.620170 | 11.725600 | 0.000000 |
| 0.174161 | 0.000065 | -0.000009 | -0.000049 | 0.000290 | 0.003991 | 0.161834 | -0.201616 | 1.168220 | 0.019362 | -3.660370 | -14.157600 | 0.000000 |
| 0.102855 | -0.000035 | 0.000005 | 0.000028 | 0.000100 | 0.000233 | 0.007261 | 0.199134 | 0.611819 | -2.877000 | 3.240330 | 4.853380 | 0.000000 |
| 0.054243 | 0.000014 | -0.000002 | -0.000011 | -0.000028 | 0.000035 | 0.004704 | 0.553826 | -0.398721 | -0.153528 | 1.228290 | 1.927580 | 0.000000 |
| 0.028973 | -0.000005 | 0.000001 | 0.000004 | 0.000013 | 0.000014 | 0.002061 | 0.474209 | -0.556163 | 1.087150 | -1.174210 | -1.114650 | 0.000000 |
| 0.015262 | 0.000001 | -0.000000 | -0.000001 | -0.000002 | 0.000003 | 0.000603 | 0.097341 | -0.111126 | 0.220687 | -0.212883 | -0.357268 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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