MOLPRO Basis Query, element=Tm, basis=ROOS_DZP, l=s
Basis Tm s ROOS_DZP
Primitives | Contractions... |
49835120.700000 | 0.000602 | -0.000223 | 0.000105 | -0.000051 | 0.000019 | -0.000005 | 0.000015 |
10348915.300000 | 0.001023 | -0.000380 | 0.000178 | -0.000086 | 0.000033 | -0.000009 | 0.000026 |
2694533.440000 | 0.002637 | -0.000981 | 0.000461 | -0.000223 | 0.000086 | -0.000024 | 0.000066 |
785150.402000 | 0.005479 | -0.002047 | 0.000963 | -0.000467 | 0.000179 | -0.000050 | 0.000138 |
250998.971000 | 0.011705 | -0.004406 | 0.002076 | -0.001006 | 0.000385 | -0.000107 | 0.000299 |
86419.218800 | 0.023871 | -0.009099 | 0.004294 | -0.002083 | 0.000797 | -0.000222 | 0.000616 |
31697.286100 | 0.048732 | -0.018989 | 0.008995 | -0.004363 | 0.001673 | -0.000465 | 0.001301 |
12248.644600 | 0.097825 | -0.039568 | 0.018852 | -0.009168 | 0.003507 | -0.000976 | 0.002699 |
4936.358560 | 0.188234 | -0.081659 | 0.039377 | -0.019170 | 0.007363 | -0.002050 | 0.005759 |
2062.976580 | 0.309383 | -0.152753 | 0.075298 | -0.036951 | 0.014135 | -0.003930 | 0.010795 |
891.613809 | 0.342226 | -0.210501 | 0.108274 | -0.053402 | 0.020673 | -0.005764 | 0.016506 |
394.659935 | 0.161559 | -0.058699 | 0.026054 | -0.012951 | 0.004560 | -0.001241 | 0.002198 |
180.641641 | 0.010234 | 0.438610 | -0.345971 | 0.191346 | -0.074228 | 0.020645 | -0.054559 |
85.820603 | 0.003201 | 0.570288 | -0.638419 | 0.379579 | -0.155465 | 0.043706 | -0.132520 |
41.838640 | -0.002479 | 0.144578 | 0.109793 | -0.090237 | 0.046377 | -0.013585 | 0.059098 |
20.816378 | 0.001666 | 0.005734 | 0.917819 | -1.066612 | 0.481909 | -0.136219 | 0.374404 |
10.142446 | -0.001028 | -0.001308 | 0.302919 | -0.190577 | 0.101733 | -0.030801 | 0.137924 |
4.838221 | 0.000560 | 0.000744 | 0.004058 | 1.084647 | -0.837755 | 0.256468 | -1.124703 |
2.199117 | -0.000251 | -0.000454 | 0.003182 | 0.380032 | -0.345861 | 0.108627 | 0.459829 |
0.807952 | 0.000112 | 0.000216 | -0.001045 | -0.003659 | 0.929011 | -0.367178 | 1.021729 |
0.323181 | -0.000068 | -0.000131 | 0.000552 | 0.006731 | 0.445563 | -0.396697 | -0.393455 |
0.129272 | 0.000040 | 0.000078 | -0.000325 | -0.003581 | -0.014000 | 0.212552 | -0.921643 |
0.051709 | -0.000022 | -0.000043 | 0.000173 | 0.001925 | 0.031437 | 0.781628 | -0.323643 |
0.020684 | 0.000010 | 0.000020 | -0.000085 | -0.000947 | -0.001022 | 0.248645 | 1.047425 |
0.008273 | -0.000003 | -0.000006 | 0.000024 | 0.000269 | 0.001958 | 0.008523 | 0.070328 |
Comment: B. O. Roos, R. Lindh, P.-A. Malmqvist, V. Veryazov, P.-O. Widmark, J. Phys. Chem. A, 112, 11431-11435 (2008)