MOLPRO Basis Query, element=Pa, basis=cc-pwCVTZ-X2C, l=s
Basis Pa s cc-pwCVTZ-X2C
| Primitives | Contractions... |
|---|
| 57606659.000000 | 0.002669 | 0.000875 | -0.001011 | -0.000162 | 0.000138 | -0.000062 | 0.000029 | 0.000051 | -0.000067 | -0.000085 | 0.000000 | 0.000000 | 0.000000 |
| 15333099.000000 | 0.001763 | 0.000577 | -0.000669 | -0.000107 | 0.000091 | -0.000041 | 0.000019 | 0.000034 | -0.000045 | -0.000056 | 0.000000 | 0.000000 | 0.000000 |
| 5244434.800000 | 0.005688 | 0.001860 | -0.002159 | -0.000346 | 0.000294 | -0.000133 | 0.000061 | 0.000110 | -0.000144 | -0.000182 | 0.000000 | 0.000000 | 0.000000 |
| 1993947.300000 | 0.005833 | 0.001897 | -0.002226 | -0.000357 | 0.000304 | -0.000137 | 0.000063 | 0.000114 | -0.000148 | -0.000188 | 0.000000 | 0.000000 | 0.000000 |
| 831464.670000 | 0.012471 | 0.004046 | -0.004768 | -0.000766 | 0.000651 | -0.000294 | 0.000135 | 0.000243 | -0.000318 | -0.000402 | 0.000000 | 0.000000 | 0.000000 |
| 367473.800000 | 0.015337 | 0.004923 | -0.005922 | -0.000954 | 0.000810 | -0.000366 | 0.000168 | 0.000303 | -0.000396 | -0.000502 | 0.000000 | 0.000000 | 0.000000 |
| 170948.980000 | 0.027802 | 0.008860 | -0.010807 | -0.001745 | 0.001481 | -0.000669 | 0.000307 | 0.000553 | -0.000723 | -0.000913 | 0.000000 | 0.000000 | 0.000000 |
| 82498.208000 | 0.037893 | 0.011845 | -0.014983 | -0.002432 | 0.002060 | -0.000931 | 0.000428 | 0.000771 | -0.001008 | -0.001281 | 0.000000 | 0.000000 | 0.000000 |
| 41068.557000 | 0.063446 | 0.019489 | -0.025472 | -0.004156 | 0.003514 | -0.001588 | 0.000730 | 0.001312 | -0.001713 | -0.002158 | 0.000000 | 0.000000 | 0.000000 |
| 20931.097000 | 0.090970 | 0.026964 | -0.037612 | -0.006192 | 0.005220 | -0.002360 | 0.001084 | 0.001959 | -0.002562 | -0.003271 | 0.000000 | 0.000000 | 0.000000 |
| 10881.858000 | 0.141353 | 0.040137 | -0.060450 | -0.010069 | 0.008456 | -0.003823 | 0.001756 | 0.003150 | -0.004109 | -0.005142 | 0.000000 | 0.000000 | 0.000000 |
| 5751.850200 | 0.192150 | 0.050328 | -0.087023 | -0.014758 | 0.012320 | -0.005570 | 0.002559 | 0.004641 | -0.006081 | -0.007843 | 0.000000 | 0.000000 | 0.000000 |
| 3085.413800 | 0.245625 | 0.057494 | -0.119370 | -0.020746 | 0.017180 | -0.007769 | 0.003568 | 0.006365 | -0.008281 | -0.010186 | 0.000000 | 0.000000 | 0.000000 |
| 1676.302600 | 0.236828 | 0.048791 | -0.122988 | -0.021795 | 0.017936 | -0.008112 | 0.003728 | 0.006861 | -0.009046 | -0.012129 | 0.000000 | 0.000000 | 0.000000 |
| 920.364860 | 0.144288 | 0.051386 | -0.045258 | -0.005640 | 0.005268 | -0.002373 | 0.001085 | 0.001652 | -0.001974 | -0.001042 | 0.000000 | 0.000000 | 0.000000 |
| 507.302700 | -0.025759 | 0.115725 | 0.203246 | 0.056561 | -0.041187 | 0.018724 | -0.008598 | -0.014902 | 0.019190 | 0.021482 | 0.000000 | 0.000000 | 0.000000 |
| 285.301180 | -0.127248 | 0.207489 | 0.548666 | 0.172341 | -0.122683 | 0.055908 | -0.025737 | -0.047910 | 0.063712 | 0.088054 | 0.000000 | 0.000000 | 0.000000 |
| 162.083520 | -0.106345 | 0.166212 | 0.606264 | 0.222723 | -0.155054 | 0.070944 | -0.032607 | -0.056240 | 0.072273 | 0.078654 | 0.000000 | 0.000000 | 0.000000 |
| 92.502257 | -0.075897 | 0.111536 | 0.036795 | -0.036386 | 0.019294 | -0.009062 | 0.004086 | 0.001475 | 0.001168 | 0.030443 | 0.000000 | 0.000000 | 0.000000 |
| 54.996696 | -0.159518 | 0.199400 | -0.676887 | -0.645265 | 0.447335 | -0.211910 | 0.098395 | 0.193270 | -0.267108 | -0.419400 | 0.000000 | 0.000000 | 0.000000 |
| 32.498055 | -0.126680 | 0.162427 | -0.590845 | -0.685716 | 0.477369 | -0.227312 | 0.105023 | 0.171409 | -0.214999 | -0.161690 | 0.000000 | 0.000000 | 0.000000 |
| 19.139224 | -0.031866 | 0.038627 | -0.102127 | 0.187644 | -0.152132 | 0.072681 | -0.032972 | -0.027495 | 0.028200 | -0.136514 | 0.000000 | 0.000000 | 0.000000 |
| 11.382710 | 0.001867 | 0.000895 | 0.103491 | 0.862021 | -0.976205 | 0.547811 | -0.263192 | -0.581563 | 0.872312 | 1.708580 | 0.000000 | 0.000000 | 0.000000 |
| 6.786052 | 0.000710 | -0.001446 | 0.057992 | 0.445035 | -0.716251 | 0.417708 | -0.198179 | -0.257965 | 0.233684 | -0.803168 | 1.000000 | 0.000000 | 0.000000 |
| 4.149622 | 0.000624 | 0.000224 | 0.007493 | 0.066545 | 0.448492 | -0.350229 | 0.170540 | 0.219139 | -0.310498 | 1.111350 | 0.000000 | 1.000000 | 0.000000 |
| 2.398648 | -0.000456 | 0.000036 | 0.000333 | 0.014140 | 0.872214 | -0.849732 | 0.456257 | 1.306370 | -2.312230 | -7.677220 | 0.000000 | 0.000000 | 0.000000 |
| 1.389239 | 0.000090 | 0.000196 | -0.000539 | 0.002102 | 0.319316 | -0.431871 | 0.230358 | 0.273179 | 0.312923 | 10.897300 | 0.000000 | 0.000000 | 0.000000 |
| 0.799685 | -0.000092 | -0.000045 | 0.000120 | 0.000488 | 0.047531 | 0.436228 | -0.277578 | -1.772950 | 4.829150 | -2.756210 | 0.000000 | 0.000000 | 0.000000 |
| 0.427327 | 0.000032 | 0.000027 | -0.000069 | -0.000720 | 0.030738 | 0.715435 | -0.561943 | -0.897998 | -3.625440 | -6.603630 | 0.000000 | 0.000000 | 0.000000 |
| 0.220940 | -0.000014 | -0.000008 | 0.000023 | -0.000086 | 0.010089 | 0.233487 | -0.326569 | 1.531090 | -1.220420 | 6.760400 | 0.000000 | 0.000000 | 0.000000 |
| 0.086038 | 0.000004 | 0.000003 | -0.000008 | -0.000060 | 0.001152 | 0.063336 | 0.301677 | 1.025940 | 2.677810 | -2.145480 | 0.000000 | 0.000000 | 0.000000 |
| 0.041219 | -0.000002 | -0.000001 | 0.000004 | -0.000044 | 0.001537 | 0.118995 | 0.692734 | -0.772162 | -0.536170 | -1.021350 | 0.000000 | 0.000000 | 0.000000 |
| 0.018781 | 0.000001 | 0.000000 | -0.000001 | -0.000024 | 0.000590 | 0.043903 | 0.253879 | -0.484754 | -0.805222 | 1.252960 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)