MOLPRO Basis Query, element=Pa, basis=ROOS_DZP, l=s
Basis Pa s ROOS_DZP
Primitives | Contractions... |
55016073.200000 | 0.002066 | -0.000852 | 0.000415 | -0.000215 | 0.000106 | -0.000047 | 0.000015 | -0.000029 |
13950434.400000 | 0.002076 | -0.000858 | 0.000419 | -0.000217 | 0.000107 | -0.000047 | 0.000016 | -0.000029 |
4394361.010000 | 0.005678 | -0.002350 | 0.001147 | -0.000594 | 0.000292 | -0.000129 | 0.000042 | -0.000079 |
1496871.320000 | 0.008817 | -0.003669 | 0.001792 | -0.000928 | 0.000456 | -0.000202 | 0.000066 | -0.000124 |
543413.295000 | 0.017489 | -0.007321 | 0.003580 | -0.001854 | 0.000911 | -0.000403 | 0.000133 | -0.000248 |
206122.758000 | 0.029782 | -0.012623 | 0.006184 | -0.003206 | 0.001576 | -0.000697 | 0.000229 | -0.000429 |
81218.975700 | 0.054063 | -0.023322 | 0.011463 | -0.005945 | 0.002924 | -0.001294 | 0.000426 | -0.000795 |
32903.983200 | 0.093833 | -0.041758 | 0.020633 | -0.010722 | 0.005274 | -0.002333 | 0.000768 | -0.001436 |
13593.197200 | 0.162996 | -0.076146 | 0.037969 | -0.019759 | 0.009726 | -0.004306 | 0.001416 | -0.002642 |
5722.499320 | 0.255991 | -0.130193 | 0.065929 | -0.034497 | 0.016996 | -0.007516 | 0.002474 | -0.004637 |
2468.791110 | 0.321329 | -0.183969 | 0.095475 | -0.050130 | 0.024743 | -0.010976 | 0.003609 | -0.006707 |
1095.219680 | 0.234331 | -0.122582 | 0.061099 | -0.032038 | 0.015760 | -0.006920 | 0.002283 | -0.004374 |
497.446786 | 0.057316 | 0.239214 | -0.191908 | 0.113363 | -0.057603 | 0.025539 | -0.008432 | 0.016095 |
234.850666 | 0.000482 | 0.589736 | -0.593602 | 0.369616 | -0.191318 | 0.086100 | -0.028339 | 0.052291 |
114.637756 | 0.000585 | 0.305504 | -0.289462 | 0.196220 | -0.103849 | 0.045727 | -0.015213 | 0.030600 |
57.569695 | -0.000344 | 0.022849 | 0.768585 | -0.856407 | 0.517885 | -0.238249 | 0.079355 | -0.155267 |
29.225441 | 0.000158 | 0.002102 | 0.593739 | -0.829510 | 0.546846 | -0.266621 | 0.088314 | -0.156618 |
14.683118 | -0.000081 | -0.001268 | 0.046008 | 0.869892 | -0.842769 | 0.451466 | -0.151763 | 0.278515 |
7.387855 | 0.000048 | 0.000549 | 0.008060 | 0.772471 | -1.142082 | 0.662376 | -0.232374 | 0.485330 |
3.486670 | -0.000024 | -0.000274 | -0.004157 | 0.036138 | 0.977865 | -0.803033 | 0.300708 | -0.737832 |
1.628698 | 0.000012 | 0.000149 | 0.002013 | 0.008488 | 0.778285 | -0.984102 | 0.390100 | -0.655478 |
0.700983 | -0.000005 | -0.000068 | -0.000977 | -0.004014 | -0.003693 | 0.953548 | -0.476052 | 1.546198 |
0.275900 | 0.000003 | 0.000033 | 0.000500 | 0.001996 | 0.016138 | 0.714017 | -0.666773 | 0.180514 |
0.110360 | -0.000002 | -0.000019 | -0.000282 | -0.001169 | -0.009041 | -0.054750 | 0.452704 | -2.027822 |
0.044144 | 0.000001 | 0.000010 | 0.000153 | 0.000643 | 0.005871 | 0.041521 | 0.841968 | 0.692628 |
0.017658 | -0.000000 | -0.000005 | -0.000072 | -0.000301 | -0.002381 | -0.018628 | 0.083273 | 0.812592 |
0.007063 | 0.000000 | 0.000001 | 0.000021 | 0.000087 | 0.000711 | 0.005462 | 0.004744 | -0.079250 |
Comment: B.O. Roos, R. Lindh, P.-A. Malmqvist, V. Veryazov, and P.-O. Widmark, Chem. Phys.Letters 409, 295 (2005)