MOLPRO Basis Query, element=Ti, basis=AWCV5Z-DK, l=d
Basis Ti d AWCV5Z-DK
Primitives | Contractions... |
261.246000 | 0.000221 | -0.000225 | -0.000359 | 0.000433 | 0.000554 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
77.445400 | 0.001973 | -0.002012 | -0.003194 | 0.003622 | 0.006194 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
29.687900 | 0.010140 | -0.010365 | -0.016729 | 0.020122 | 0.027400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
12.764200 | 0.034314 | -0.035351 | -0.057446 | 0.066428 | 0.119664 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5.829920 | 0.089820 | -0.094399 | -0.157945 | 0.204141 | 0.291824 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.797830 | 0.177961 | -0.183195 | -0.287887 | 0.322055 | 0.515748 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.363830 | 0.259305 | -0.243869 | -0.274322 | 0.127150 | -0.939863 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.660037 | 0.296742 | -0.191546 | 0.196833 | -0.993910 | -0.573220 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.313699 | 0.269742 | 0.108607 | 0.696287 | 0.072693 | 1.994963 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.144978 | 0.179918 | 0.457430 | 0.026203 | 1.160382 | -1.648945 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.064772 | 0.066995 | 0.391359 | -0.601469 | -0.699517 | 0.284874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.027376 | 0.005899 | 0.074096 | -0.167916 | -0.320344 | 0.439420 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
3.453400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.944500 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011570 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database