MOLPRO Basis Query, element=Pa, basis=cc-pwCVTZ-X2C, l=d
Basis Pa d cc-pwCVTZ-X2C
Primitives | Contractions... |
105911.200000 | 0.000020 | -0.000007 | 0.000004 | -0.000001 | -0.000002 | 0.000003 | 0.000003 | 0.000000 | 0.000000 | 0.000000 |
24974.572000 | 0.000129 | -0.000047 | 0.000029 | -0.000008 | -0.000014 | 0.000015 | 0.000015 | 0.000000 | 0.000000 | 0.000000 |
8108.852700 | 0.000677 | -0.000246 | 0.000151 | -0.000042 | -0.000076 | 0.000099 | 0.000122 | 0.000000 | 0.000000 | 0.000000 |
3150.520500 | 0.003052 | -0.001113 | 0.000680 | -0.000189 | -0.000341 | 0.000341 | 0.000347 | 0.000000 | 0.000000 | 0.000000 |
1380.647900 | 0.011950 | -0.004403 | 0.002694 | -0.000746 | -0.001350 | 0.001764 | 0.002149 | 0.000000 | 0.000000 | 0.000000 |
658.188950 | 0.039706 | -0.014782 | 0.009015 | -0.002504 | -0.004520 | 0.004542 | 0.004651 | 0.000000 | 0.000000 | 0.000000 |
332.909040 | 0.108875 | -0.041545 | 0.025311 | -0.007016 | -0.012691 | 0.016684 | 0.020392 | 0.000000 | 0.000000 | 0.000000 |
176.023220 | 0.231727 | -0.089264 | 0.054175 | -0.015063 | -0.027203 | 0.026097 | 0.025817 | 0.000000 | 0.000000 | 0.000000 |
95.780704 | 0.354949 | -0.132364 | 0.081018 | -0.022420 | -0.040731 | 0.060468 | 0.078790 | 0.000000 | 0.000000 | 0.000000 |
53.337287 | 0.336096 | -0.078125 | 0.048855 | -0.013378 | -0.024241 | 0.000539 | -0.017707 | 0.000000 | 0.000000 | 0.000000 |
29.864821 | 0.140603 | 0.163137 | -0.090265 | 0.026555 | 0.047760 | -0.000808 | 0.036382 | 0.000000 | 0.000000 | 0.000000 |
16.526778 | -0.033742 | 0.427766 | -0.246113 | 0.070496 | 0.130785 | -0.264329 | -0.395285 | 0.000000 | 0.000000 | 0.000000 |
9.155323 | -0.064042 | 0.404323 | -0.206236 | 0.058301 | 0.109858 | 0.052256 | 0.190284 | 0.000000 | 0.000000 | 0.000000 |
4.984876 | -0.024095 | 0.149842 | 0.172306 | -0.065834 | -0.132036 | -0.132387 | -0.305340 | 0.000000 | 0.000000 | 0.000000 |
2.636633 | -0.002233 | 0.013528 | 0.505507 | -0.177473 | -0.361445 | 1.131120 | 2.068600 | 0.000000 | 0.000000 | 0.000000 |
1.354062 | 0.000305 | -0.001244 | 0.395599 | -0.127085 | -0.295687 | -0.836860 | -3.343810 | 0.000000 | 0.000000 | 0.000000 |
0.656031 | 0.000103 | -0.000625 | 0.111489 | 0.181760 | 1.022840 | -0.880933 | 2.384720 | 0.000000 | 0.000000 | 0.000000 |
0.269853 | 0.000008 | -0.000007 | 0.006247 | 0.495490 | 0.148484 | 1.541780 | -0.687425 | 0.000000 | 0.000000 | 0.000000 |
0.103443 | 0.000000 | -0.000015 | -0.000029 | 0.447072 | -0.687079 | -0.666373 | -0.497092 | 0.000000 | 0.000000 | 0.000000 |
0.036685 | 0.000000 | 0.000003 | -0.000036 | 0.116353 | -0.160462 | -0.294466 | 0.802212 | 1.000000 | 0.000000 | 0.000000 |
5.502900 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
3.285200 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)