MOLPRO Basis Query, element=Pr, basis=cc-pVQZ-X2C, l=s
Basis Pr s cc-pVQZ-X2C
Primitives | Contractions... |
73423740.000000 | 0.000257 | -0.000146 | 0.000076 | -0.000017 | 0.000009 | -0.000005 | -0.000008 | 0.000011 | -0.000014 | -0.000014 | 0.000000 |
19507090.000000 | 0.000216 | -0.000122 | 0.000064 | -0.000015 | 0.000008 | -0.000004 | -0.000007 | 0.000009 | -0.000012 | -0.000012 | 0.000000 |
6662433.000000 | 0.000650 | -0.000369 | 0.000192 | -0.000044 | 0.000024 | -0.000014 | -0.000020 | 0.000028 | -0.000036 | -0.000035 | 0.000000 |
2526445.000000 | 0.000845 | -0.000480 | 0.000250 | -0.000058 | 0.000031 | -0.000018 | -0.000026 | 0.000036 | -0.000047 | -0.000046 | 0.000000 |
1040734.000000 | 0.001746 | -0.000992 | 0.000518 | -0.000119 | 0.000065 | -0.000036 | -0.000054 | 0.000075 | -0.000097 | -0.000095 | 0.000000 |
450451.900000 | 0.002697 | -0.001536 | 0.000803 | -0.000185 | 0.000100 | -0.000057 | -0.000084 | 0.000116 | -0.000149 | -0.000149 | 0.000000 |
203049.500000 | 0.004990 | -0.002849 | 0.001493 | -0.000344 | 0.000186 | -0.000105 | -0.000157 | 0.000217 | -0.000279 | -0.000273 | 0.000000 |
94406.110000 | 0.008390 | -0.004811 | 0.002530 | -0.000584 | 0.000316 | -0.000179 | -0.000266 | 0.000367 | -0.000469 | -0.000473 | 0.000000 |
45125.430000 | 0.015170 | -0.008750 | 0.004623 | -0.001069 | 0.000578 | -0.000327 | -0.000488 | 0.000675 | -0.000871 | -0.000841 | 0.000000 |
22103.510000 | 0.026571 | -0.015472 | 0.008234 | -0.001908 | 0.001031 | -0.000583 | -0.000869 | 0.001195 | -0.001521 | -0.001563 | 0.000000 |
11077.650000 | 0.047378 | -0.027984 | 0.015053 | -0.003499 | 0.001891 | -0.001069 | -0.001597 | 0.002218 | -0.002877 | -0.002715 | 0.000000 |
5674.149000 | 0.081268 | -0.049176 | 0.026925 | -0.006294 | 0.003399 | -0.001921 | -0.002865 | 0.003926 | -0.004963 | -0.005248 | 0.000000 |
2968.183000 | 0.132737 | -0.083635 | 0.047131 | -0.011116 | 0.006001 | -0.003392 | -0.005075 | 0.007081 | -0.009273 | -0.008418 | 0.000000 |
1584.161000 | 0.192408 | -0.130210 | 0.076941 | -0.018422 | 0.009932 | -0.005614 | -0.008364 | 0.011389 | -0.014207 | -0.015926 | 0.000000 |
861.660300 | 0.227650 | -0.173480 | 0.110217 | -0.027030 | 0.014552 | -0.008227 | -0.012346 | 0.017464 | -0.023456 | -0.019092 | 0.000000 |
476.907500 | 0.188257 | -0.167791 | 0.116172 | -0.029400 | 0.015783 | -0.008921 | -0.013229 | 0.017406 | -0.020130 | -0.029774 | 0.000000 |
268.183800 | 0.096429 | -0.058603 | 0.032765 | -0.007809 | 0.004231 | -0.002398 | -0.003827 | 0.007335 | -0.014686 | 0.008361 | 0.000000 |
153.413900 | 0.056115 | 0.148079 | -0.194600 | 0.061071 | -0.032454 | 0.018389 | 0.028338 | -0.044704 | 0.071569 | 0.017214 | 0.000000 |
90.861320 | 0.071624 | 0.287943 | -0.458239 | 0.162430 | -0.085867 | 0.048663 | 0.071894 | -0.088032 | 0.084391 | 0.219799 | 0.000000 |
55.969130 | 0.055161 | 0.226169 | -0.473484 | 0.186681 | -0.098755 | 0.056143 | 0.089519 | -0.154885 | 0.272943 | -0.010061 | 0.000000 |
35.672610 | 0.029216 | 0.117154 | -0.206898 | 0.087527 | -0.047101 | 0.026846 | 0.032948 | 0.007646 | -0.133946 | 0.357341 | 0.000000 |
22.063320 | 0.023983 | 0.122798 | 0.309054 | -0.221152 | 0.118535 | -0.068001 | -0.092224 | 0.046876 | 0.139277 | -0.626297 | 0.000000 |
13.764180 | 0.032413 | 0.170945 | 0.649837 | -0.645044 | 0.367575 | -0.215018 | -0.374060 | 0.700736 | -1.400510 | -0.590764 | 0.000000 |
8.290655 | 0.018744 | 0.101242 | 0.386348 | -0.442504 | 0.244203 | -0.141574 | -0.209094 | 0.127021 | 0.450882 | -0.624463 | 0.000000 |
4.720278 | 0.003015 | 0.015040 | 0.043934 | 0.355407 | -0.233243 | 0.140279 | 0.299214 | -0.420264 | -0.059387 | 2.462370 | 0.000000 |
2.776078 | -0.000504 | -0.002865 | -0.040071 | 0.718654 | -0.619793 | 0.402639 | 0.797312 | -1.660700 | 5.553410 | 4.351000 | 0.000000 |
1.614779 | -0.000111 | -0.001232 | -0.016049 | 0.303253 | -0.428757 | 0.295326 | 0.659743 | -0.198625 | -7.996980 | -16.162800 | 0.000000 |
0.949029 | -0.000087 | -0.000287 | -0.003647 | 0.062702 | 0.183127 | -0.156825 | -1.516910 | 3.862830 | -0.098272 | 16.643600 | 0.000000 |
0.527281 | 0.000009 | -0.000132 | -0.001489 | 0.063046 | 0.544488 | -0.458930 | -0.921050 | -0.834552 | 7.325000 | -3.931650 | 0.000000 |
0.306198 | -0.000030 | -0.000084 | -0.001322 | 0.038600 | 0.337175 | -0.423254 | 0.299216 | -2.767910 | -3.221390 | -7.267460 | 0.000000 |
0.179114 | 0.000008 | -0.000019 | -0.000152 | 0.009464 | 0.059725 | -0.200395 | 0.906265 | -0.015095 | -2.994950 | 6.053650 | 0.000000 |
0.092771 | -0.000005 | -0.000005 | -0.000113 | 0.002751 | 0.061281 | 0.167255 | 0.881576 | 2.043110 | 1.748680 | 1.604910 | 0.000000 |
0.049527 | 0.000001 | -0.000010 | -0.000107 | 0.007020 | 0.167622 | 0.518111 | -0.220661 | 0.284612 | 1.392980 | -3.713250 | 0.000000 |
0.026085 | -0.000002 | -0.000009 | -0.000122 | 0.005818 | 0.141304 | 0.438030 | -0.640767 | -0.813208 | -0.781359 | 0.485928 | 0.000000 |
0.013602 | -0.000000 | -0.000002 | -0.000018 | 0.001074 | 0.025824 | 0.080384 | -0.213875 | -0.330643 | -0.451314 | 0.999315 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
|