MOLPRO Basis Query, element=Ti, basis=AVDZ-DK, l=s
Basis Ti s AVDZ-DK
Primitives | Contractions... |
3014643.000000 | 0.000112 | -0.000063 | 0.000013 | -0.000003 | -0.000006 | 0.000000 | 0.000000 |
451432.900000 | 0.000332 | -0.000189 | 0.000038 | -0.000009 | -0.000017 | 0.000000 | 0.000000 |
102733.800000 | 0.000940 | -0.000535 | 0.000109 | -0.000026 | -0.000048 | 0.000000 | 0.000000 |
29098.170000 | 0.002532 | -0.001443 | 0.000294 | -0.000070 | -0.000131 | 0.000000 | 0.000000 |
9492.330000 | 0.006879 | -0.003933 | 0.000803 | -0.000191 | -0.000346 | 0.000000 | 0.000000 |
3426.346000 | 0.018749 | -0.010796 | 0.002220 | -0.000526 | -0.001009 | 0.000000 | 0.000000 |
1335.896000 | 0.049294 | -0.028829 | 0.005999 | -0.001424 | -0.002532 | 0.000000 | 0.000000 |
553.502600 | 0.116694 | -0.070674 | 0.015149 | -0.003593 | -0.007042 | 0.000000 | 0.000000 |
240.692500 | 0.227325 | -0.148778 | 0.033733 | -0.008022 | -0.013829 | 0.000000 | 0.000000 |
108.729300 | 0.310554 | -0.242060 | 0.061563 | -0.014646 | -0.030221 | 0.000000 | 0.000000 |
50.264570 | 0.220584 | -0.234721 | 0.069462 | -0.016661 | -0.023981 | 0.000000 | 0.000000 |
22.580040 | 0.073247 | 0.042206 | -0.024155 | 0.005889 | -0.007185 | 0.000000 | 0.000000 |
10.714320 | 0.113154 | 0.498335 | -0.278984 | 0.069347 | 0.175884 | 0.000000 | 0.000000 |
5.093546 | 0.113659 | 0.486887 | -0.438671 | 0.115921 | 0.146246 | 0.000000 | 0.000000 |
2.244183 | 0.019316 | 0.087904 | 0.090906 | -0.032717 | 0.097184 | 0.000000 | 0.000000 |
1.059570 | -0.000465 | -0.005264 | 0.709131 | -0.233414 | -1.001736 | 0.000000 | 0.000000 |
0.468849 | 0.000159 | 0.000552 | 0.431164 | -0.286941 | 0.199957 | 0.000000 | 0.000000 |
0.106143 | -0.000059 | -0.000628 | 0.025898 | 0.283954 | 2.218104 | 0.000000 | 0.000000 |
0.055262 | 0.000062 | 0.000553 | -0.011007 | 0.584113 | -1.342323 | 0.000000 | 0.000000 |
0.025465 | -0.000008 | -0.000118 | 0.003889 | 0.294962 | -0.613936 | 1.000000 | 0.000000 |
0.011730 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)