MOLPRO Basis Query, element=Bk, basis=cc-pVQZ-X2C, l=s
Basis Bk s cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 55955481.000000 | 0.004142 | -0.000152 | 0.001573 | -0.000214 | 0.000225 | -0.000102 | 0.000041 | 0.000088 | 0.000112 | -0.000146 | 0.000153 | 0.000000 |
| 14893796.000000 | 0.002600 | -0.000097 | 0.000990 | -0.000135 | 0.000142 | -0.000065 | 0.000026 | 0.000055 | 0.000071 | -0.000092 | 0.000097 | 0.000000 |
| 5089530.700000 | 0.008525 | -0.000320 | 0.003248 | -0.000443 | 0.000465 | -0.000212 | 0.000085 | 0.000181 | 0.000232 | -0.000301 | 0.000317 | 0.000000 |
| 1931433.100000 | 0.008287 | -0.000328 | 0.003180 | -0.000434 | 0.000456 | -0.000207 | 0.000083 | 0.000178 | 0.000228 | -0.000295 | 0.000311 | 0.000000 |
| 804519.940000 | 0.018009 | -0.000725 | 0.006926 | -0.000947 | 0.000993 | -0.000452 | 0.000182 | 0.000387 | 0.000497 | -0.000643 | 0.000678 | 0.000000 |
| 355639.620000 | 0.020755 | -0.000918 | 0.008089 | -0.001111 | 0.001163 | -0.000529 | 0.000213 | 0.000453 | 0.000582 | -0.000753 | 0.000792 | 0.000000 |
| 166148.020000 | 0.038221 | -0.001768 | 0.014999 | -0.002066 | 0.002160 | -0.000983 | 0.000395 | 0.000842 | 0.001080 | -0.001398 | 0.001479 | 0.000000 |
| 81034.416000 | 0.046930 | -0.002501 | 0.018850 | -0.002617 | 0.002727 | -0.001242 | 0.000499 | 0.001064 | 0.001366 | -0.001768 | 0.001846 | 0.000000 |
| 41286.471000 | 0.079262 | -0.004550 | 0.032269 | -0.004504 | 0.004684 | -0.002133 | 0.000857 | 0.001826 | 0.002339 | -0.003028 | 0.003245 | 0.000000 |
| 22031.389000 | 0.090430 | -0.006340 | 0.038338 | -0.005424 | 0.005608 | -0.002554 | 0.001026 | 0.002189 | 0.002819 | -0.003651 | 0.003681 | 0.000000 |
| 12590.425000 | 0.133824 | -0.010046 | 0.057647 | -0.008215 | 0.008475 | -0.003860 | 0.001551 | 0.003302 | 0.004203 | -0.005439 | 0.006240 | 0.000000 |
| 7793.620700 | 0.117950 | -0.011606 | 0.054515 | -0.007939 | 0.008107 | -0.003690 | 0.001482 | 0.003172 | 0.004146 | -0.005379 | 0.004496 | 0.000000 |
| 4844.931500 | 0.201411 | -0.020718 | 0.094426 | -0.013884 | 0.014156 | -0.006449 | 0.002591 | 0.005506 | 0.006924 | -0.008951 | 0.011596 | 0.000000 |
| 2900.909800 | 0.189682 | -0.025547 | 0.097257 | -0.014670 | 0.014760 | -0.006718 | 0.002698 | 0.005791 | 0.007687 | -0.009992 | 0.006644 | 0.000000 |
| 1736.849800 | 0.204973 | -0.024267 | 0.099962 | -0.014830 | 0.015111 | -0.006890 | 0.002770 | 0.005834 | 0.006970 | -0.008953 | 0.017233 | 0.000000 |
| 1071.901900 | 0.085213 | 0.009362 | 0.009369 | 0.001611 | -0.000539 | 0.000272 | -0.000114 | -0.000101 | 0.000910 | -0.001296 | -0.014576 | 0.000000 |
| 685.791030 | 0.056755 | 0.065254 | -0.098519 | 0.026854 | -0.022051 | 0.010054 | -0.004036 | -0.008909 | -0.013369 | 0.017751 | 0.009275 | 0.000000 |
| 439.087520 | -0.043748 | 0.160252 | -0.337772 | 0.091388 | -0.076460 | 0.035058 | -0.014112 | -0.029787 | -0.035549 | 0.046024 | -0.091158 | 0.000000 |
| 272.509480 | -0.027462 | 0.203734 | -0.541242 | 0.169963 | -0.136060 | 0.062369 | -0.025081 | -0.054366 | -0.074203 | 0.097879 | -0.046175 | 0.000000 |
| 164.938670 | -0.040511 | 0.148003 | -0.454511 | 0.157447 | -0.126239 | 0.058373 | -0.023539 | -0.049577 | -0.058013 | 0.075101 | -0.166296 | 0.000000 |
| 97.631860 | -0.035310 | 0.142642 | 0.162770 | -0.163524 | 0.118427 | -0.056137 | 0.022755 | 0.047443 | 0.051167 | -0.065694 | 0.219513 | 0.000000 |
| 60.235310 | -0.090850 | 0.235257 | 0.695116 | -0.671784 | 0.513061 | -0.245912 | 0.099647 | 0.222255 | 0.315807 | -0.451950 | 0.278732 | 0.000000 |
| 36.649388 | -0.052612 | 0.164757 | 0.517925 | -0.562437 | 0.432064 | -0.208880 | 0.084932 | 0.180203 | 0.201558 | -0.241548 | 0.665247 | 0.000000 |
| 22.345039 | -0.018216 | 0.037868 | 0.060273 | 0.239074 | -0.212163 | 0.104425 | -0.042699 | -0.100752 | -0.105569 | 0.210476 | -1.217240 | 0.000000 |
| 14.124439 | 0.006185 | 0.000634 | -0.109690 | 0.775676 | -0.984405 | 0.576949 | -0.241449 | -0.558610 | -0.855860 | 1.266740 | 0.080749 | 0.000000 |
| 8.881384 | -0.002092 | -0.001153 | -0.075608 | 0.460493 | -0.760917 | 0.452271 | -0.189980 | -0.427041 | -0.431577 | 0.389325 | -2.636270 | 0.000000 |
| 5.524504 | 0.002684 | -0.000155 | -0.011090 | 0.097006 | 0.356016 | -0.312523 | 0.137574 | 0.356699 | 0.408485 | -0.518670 | 4.519350 | 0.000000 |
| 3.341217 | -0.001711 | 0.000255 | -0.002513 | 0.025334 | 0.869875 | -0.857065 | 0.390038 | 1.184990 | 2.423570 | -6.294960 | 5.266860 | 0.000000 |
| 2.018349 | 0.001128 | 0.000140 | 0.001572 | 0.008203 | 0.397675 | -0.501878 | 0.242165 | 0.668222 | -0.087133 | 7.759650 | -18.354500 | 0.000000 |
| 1.248969 | -0.000811 | 0.000014 | -0.001045 | 0.002117 | 0.070031 | 0.186337 | -0.113381 | -1.543720 | -3.665340 | 2.512590 | 14.323800 | 0.000000 |
| 0.762749 | 0.000475 | 0.000011 | 0.000636 | -0.000365 | 0.025715 | 0.553285 | -0.312640 | -0.999518 | -0.213805 | -7.349780 | 3.143870 | 0.000000 |
| 0.460146 | -0.000239 | -0.000002 | -0.000340 | 0.000248 | 0.018151 | 0.501062 | -0.384016 | 0.022499 | 2.845020 | -0.089289 | -10.224100 | 0.000000 |
| 0.261883 | 0.000094 | 0.000002 | 0.000127 | -0.000095 | 0.006305 | 0.159042 | -0.230945 | 1.019030 | 0.763463 | 4.321840 | 3.106600 | 0.000000 |
| 0.125304 | -0.000037 | -0.000001 | -0.000053 | 0.000037 | 0.000587 | 0.029693 | 0.125534 | 0.887612 | -1.857300 | -0.652279 | 4.273570 | 0.000000 |
| 0.067217 | 0.000019 | 0.000000 | 0.000027 | -0.000035 | 0.000883 | 0.071131 | 0.508865 | -0.116019 | -0.631941 | -1.990290 | -4.034680 | 0.000000 |
| 0.033963 | -0.000007 | -0.000000 | -0.000011 | -0.000005 | 0.000853 | 0.069647 | 0.495051 | -0.615129 | 0.740932 | 0.528546 | -0.164720 | 0.000000 |
| 0.017053 | 0.000002 | 0.000000 | 0.000002 | -0.000005 | 0.000178 | 0.014459 | 0.103810 | -0.261774 | 0.467752 | 0.660009 | 1.217610 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
| 