MOLPRO Basis Query, element=Ti, basis=aug-cc-pwCV5Z, l=d
Basis Ti d aug-cc-pwCV5Z
Primitives | Contractions... |
249.356000 | 0.000231 | -0.000234 | -0.000377 | -0.000452 | -0.000563 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
74.748300 | 0.002080 | -0.002115 | -0.003382 | -0.003843 | -0.006557 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.939900 | 0.010542 | -0.010742 | -0.017488 | -0.020980 | -0.028035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
12.527900 | 0.035367 | -0.036334 | -0.059561 | -0.069141 | -0.124304 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5.734310 | 0.092607 | -0.097100 | -0.163991 | -0.211893 | -0.298053 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.745310 | 0.183132 | -0.187729 | -0.295823 | -0.328839 | -0.508558 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.332120 | 0.265016 | -0.246447 | -0.267498 | -0.083510 | 1.046121 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.641088 | 0.300021 | -0.182914 | 0.242525 | 1.039667 | 0.361521 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.302781 | 0.267390 | 0.136443 | 0.700288 | -0.245234 | -1.882322 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.139053 | 0.171311 | 0.473586 | -0.056228 | -1.065614 | 1.747460 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.062029 | 0.058929 | 0.366901 | -0.589356 | 0.762584 | -0.451201 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.026440 | 0.004506 | 0.060221 | -0.135939 | 0.263450 | -0.373623 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
3.450300 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.944700 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011270 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database