MOLPRO Basis Query, element=Ti, basis=AWCV5Z-DK, l=p
Basis Ti p AWCV5Z-DK
Primitives | Contractions... |
59284.900000 | 0.000016 | -0.000005 | 0.000001 | 0.000002 | 0.000003 | 0.000004 | -0.000006 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
14323.600000 | 0.000055 | -0.000018 | 0.000004 | 0.000006 | 0.000011 | 0.000015 | -0.000018 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4537.220000 | 0.000228 | -0.000076 | 0.000018 | 0.000023 | 0.000046 | 0.000051 | -0.000081 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1726.540000 | 0.000823 | -0.000276 | 0.000066 | 0.000083 | 0.000159 | 0.000232 | -0.000269 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
741.075000 | 0.002825 | -0.000951 | 0.000229 | 0.000288 | 0.000583 | 0.000609 | -0.001021 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
343.807000 | 0.008834 | -0.002988 | 0.000714 | 0.000899 | 0.001710 | 0.002549 | -0.002893 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
167.884000 | 0.025133 | -0.008589 | 0.002069 | 0.002600 | 0.005275 | 0.005426 | -0.009300 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
85.039400 | 0.063454 | -0.022078 | 0.005289 | 0.006651 | 0.012619 | 0.018951 | -0.021564 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
44.382900 | 0.135490 | -0.048513 | 0.011738 | 0.014743 | 0.030087 | 0.029407 | -0.053897 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
23.792800 | 0.229717 | -0.084874 | 0.020395 | 0.025656 | 0.047817 | 0.078633 | -0.080911 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
13.053600 | 0.300043 | -0.116505 | 0.028614 | 0.035906 | 0.078084 | 0.060147 | -0.138559 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
7.268720 | 0.270881 | -0.106046 | 0.025394 | 0.032088 | 0.057269 | 0.184202 | -0.174619 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4.038050 | 0.133991 | 0.020823 | -0.007094 | -0.008170 | 0.004235 | -0.120745 | 0.089782 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.192940 | 0.025663 | 0.247425 | -0.072097 | -0.088781 | -0.240592 | -0.303266 | 1.480017 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.161620 | -0.000475 | 0.401510 | -0.118134 | -0.143896 | -0.398824 | -1.240247 | -0.590078 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.603250 | -0.001565 | 0.340157 | -0.129276 | -0.173726 | -0.307179 | 1.946423 | -2.888595 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.300174 | -0.000697 | 0.125806 | 0.031574 | 0.015118 | 1.262331 | 0.301009 | 4.255403 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.130131 | -0.000045 | 0.011272 | 0.378571 | 0.606013 | 0.255686 | -1.981289 | -2.875851 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.057223 | -0.000010 | 0.000672 | 0.526971 | 0.463925 | -0.899242 | 1.197236 | 0.810138 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.024910 | 0.000001 | 0.000058 | 0.201479 | 0.027458 | -0.063197 | 0.125781 | 0.339830 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
5.781300 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.650000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.010840 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database