MOLPRO Basis Query, element=Th, basis=cc-pwCVQZ-DK3-ol, l=s
Basis Th s cc-pwCVQZ-DK3-ol
| Primitives | Contractions... |
|---|
| 57372500.000000 | 0.000148 | 0.001904 | 0.000711 | -0.000111 | 0.000089 | -0.000041 | 0.000019 | 0.000034 | -0.000044 | 0.000056 | 0.000000 | 0.000000 | 0.000000 |
| 15274900.000000 | 0.000130 | 0.001670 | 0.000623 | -0.000097 | 0.000078 | -0.000036 | 0.000017 | 0.000030 | -0.000039 | 0.000049 | 0.000000 | 0.000000 | 0.000000 |
| 5228720.000000 | 0.000374 | 0.004832 | 0.001807 | -0.000282 | 0.000225 | -0.000105 | 0.000049 | 0.000086 | -0.000113 | 0.000142 | 0.000000 | 0.000000 | 0.000000 |
| 1991150.000000 | 0.000460 | 0.005996 | 0.002247 | -0.000351 | 0.000280 | -0.000130 | 0.000061 | 0.000107 | -0.000141 | 0.000177 | 0.000000 | 0.000000 | 0.000000 |
| 832943.000000 | 0.000894 | 0.011829 | 0.004452 | -0.000696 | 0.000555 | -0.000258 | 0.000121 | 0.000212 | -0.000279 | 0.000351 | 0.000000 | 0.000000 | 0.000000 |
| 370244.000000 | 0.001186 | 0.016102 | 0.006101 | -0.000956 | 0.000762 | -0.000355 | 0.000166 | 0.000291 | -0.000383 | 0.000484 | 0.000000 | 0.000000 | 0.000000 |
| 174013.000000 | 0.001949 | 0.027394 | 0.010470 | -0.001645 | 0.001310 | -0.000610 | 0.000285 | 0.000500 | -0.000658 | 0.000826 | 0.000000 | 0.000000 | 0.000000 |
| 85351.000000 | 0.002554 | 0.038125 | 0.014782 | -0.002333 | 0.001855 | -0.000863 | 0.000403 | 0.000708 | -0.000934 | 0.001184 | 0.000000 | 0.000000 | 0.000000 |
| 43522.400000 | 0.003724 | 0.060160 | 0.023734 | -0.003767 | 0.002990 | -0.001392 | 0.000650 | 0.001141 | -0.001499 | 0.001869 | 0.000000 | 0.000000 | 0.000000 |
| 22897.600000 | 0.004471 | 0.083500 | 0.033878 | -0.005424 | 0.004294 | -0.001999 | 0.000934 | 0.001640 | -0.002167 | 0.002780 | 0.000000 | 0.000000 | 0.000000 |
| 12365.100000 | 0.005340 | 0.124344 | 0.052242 | -0.008459 | 0.006672 | -0.003106 | 0.001452 | 0.002546 | -0.003333 | 0.004081 | 0.000000 | 0.000000 | 0.000000 |
| 6812.390000 | 0.004222 | 0.164875 | 0.073189 | -0.012054 | 0.009454 | -0.004403 | 0.002058 | 0.003617 | -0.004807 | 0.006339 | 0.000000 | 0.000000 | 0.000000 |
| 3821.700000 | 0.000731 | 0.214746 | 0.102041 | -0.017182 | 0.013382 | -0.006234 | 0.002913 | 0.005103 | -0.006615 | 0.007676 | 0.000000 | 0.000000 | 0.000000 |
| 2187.650000 | -0.006048 | 0.223415 | 0.115889 | -0.020039 | 0.015474 | -0.007215 | 0.003372 | 0.005947 | -0.008084 | 0.011775 | 0.000000 | 0.000000 | 0.000000 |
| 1284.520000 | -0.005072 | 0.192015 | 0.099261 | -0.017128 | 0.013238 | -0.006164 | 0.002881 | 0.004994 | -0.005980 | 0.003764 | 0.000000 | 0.000000 | 0.000000 |
| 775.146000 | 0.023946 | 0.090055 | 0.002450 | 0.003271 | -0.001623 | 0.000769 | -0.000361 | -0.000495 | -0.000697 | 0.009505 | 0.000000 | 0.000000 | 0.000000 |
| 477.944000 | 0.097300 | 0.009767 | -0.175945 | 0.048966 | -0.033277 | 0.015689 | -0.007336 | -0.013242 | 0.020534 | -0.045183 | 0.000000 | 0.000000 | 0.000000 |
| 301.081000 | 0.164973 | -0.056304 | -0.406844 | 0.124402 | -0.083110 | 0.039139 | -0.018318 | -0.031574 | 0.035513 | -0.005915 | 0.000000 | 0.000000 | 0.000000 |
| 194.725000 | 0.158093 | -0.038548 | -0.494719 | 0.171939 | -0.112160 | 0.053173 | -0.024880 | -0.045158 | 0.071136 | -0.160742 | 0.000000 | 0.000000 | 0.000000 |
| 125.764000 | 0.104518 | -0.037459 | -0.375982 | 0.143553 | -0.093943 | 0.044528 | -0.020880 | -0.034793 | 0.028438 | 0.071826 | 0.000000 | 0.000000 | 0.000000 |
| 79.566900 | 0.130620 | -0.048542 | 0.143489 | -0.148548 | 0.089996 | -0.043448 | 0.020447 | 0.033443 | -0.019935 | -0.126337 | 0.000000 | 0.000000 | 0.000000 |
| 49.492200 | 0.243809 | -0.114293 | 0.657196 | -0.670114 | 0.434103 | -0.213424 | 0.100582 | 0.184836 | -0.287142 | 0.603838 | 0.000000 | 0.000000 | 0.000000 |
| 30.215800 | 0.181079 | -0.080142 | 0.522180 | -0.611497 | 0.394437 | -0.193515 | 0.091297 | 0.156671 | -0.153981 | -0.148539 | 0.000000 | 0.000000 | 0.000000 |
| 18.217400 | 0.043386 | -0.021309 | 0.085498 | 0.191732 | -0.141473 | 0.067586 | -0.031838 | -0.052264 | -0.006907 | 0.566831 | 0.000000 | 0.000000 | 0.000000 |
| 11.330200 | -0.003559 | 0.004486 | -0.094541 | 0.811250 | -0.836450 | 0.475798 | -0.231006 | -0.448673 | 0.789718 | -2.197230 | 0.000000 | 0.000000 | 0.000000 |
| 7.026450 | -0.003458 | 0.001211 | -0.065449 | 0.512447 | -0.744285 | 0.434071 | -0.211876 | -0.389620 | 0.335820 | 1.422200 | 1.000000 | 0.000000 | 0.000000 |
| 4.317940 | -0.000878 | 0.001333 | -0.012002 | 0.094820 | 0.229499 | -0.182817 | 0.092461 | 0.240864 | -0.292775 | -2.038170 | 0.000000 | 1.000000 | 0.000000 |
| 2.570350 | 0.000361 | -0.000692 | -0.000251 | -0.012197 | 0.848114 | -0.749834 | 0.396389 | 0.780045 | -1.332580 | 6.503750 | 0.000000 | 0.000000 | 0.000000 |
| 1.539770 | 0.000127 | 0.000301 | 0.001026 | -0.009072 | 0.447446 | -0.590724 | 0.336901 | 1.105490 | -1.990230 | -3.573510 | 0.000000 | 0.000000 | 0.000000 |
| 0.937731 | 0.000062 | -0.000269 | -0.000213 | -0.001810 | 0.081950 | 0.138424 | -0.107395 | -1.341190 | 4.804140 | -7.575870 | 0.000000 | 0.000000 | 0.000000 |
| 0.535163 | -0.000010 | 0.000154 | 0.000237 | -0.001413 | 0.030285 | 0.621588 | -0.426812 | -1.471510 | 0.388921 | 10.794700 | 0.000000 | 0.000000 | 0.000000 |
| 0.314682 | 0.000013 | -0.000109 | -0.000141 | -0.000746 | 0.016605 | 0.451341 | -0.443430 | 0.227113 | -3.593230 | -1.816090 | 0.000000 | 0.000000 | 0.000000 |
| 0.185945 | -0.000006 | 0.000067 | 0.000098 | -0.000296 | 0.005626 | 0.114133 | -0.192551 | 0.946482 | -0.727444 | -4.285590 | 0.000000 | 0.000000 | 0.000000 |
| 0.109802 | 0.000003 | -0.000036 | -0.000051 | 0.000001 | 0.000272 | 0.027699 | 0.080966 | 0.982523 | 1.993710 | 0.187627 | 0.000000 | 0.000000 | 0.000000 |
| 0.062807 | -0.000001 | 0.000014 | 0.000021 | -0.000085 | 0.001183 | 0.082296 | 0.469994 | 0.019094 | 1.117790 | 2.781880 | 0.000000 | 0.000000 | 0.000000 |
| 0.032057 | 0.000000 | -0.000004 | -0.000005 | -0.000078 | 0.001163 | 0.098295 | 0.569197 | -0.733275 | -0.818909 | -0.305035 | 0.000000 | 0.000000 | 0.000000 |
| 0.015921 | -0.000000 | 0.000001 | 0.000001 | -0.000021 | 0.000301 | 0.023873 | 0.138892 | -0.312805 | -0.547619 | -0.891585 | 0.000000 | 0.000000 | 1.000000 |
Comment: K.A. Peterson, J. Chem. Phys. 142, 074105 (2015)
| 