MOLPRO Basis Query, element=Ti, basis=AVQZ-DK, l=p
Basis Ti p AVQZ-DK
Primitives | Contractions... |
25537.330000 | 0.000041 | -0.000014 | 0.000003 | 0.000004 | 0.000008 | -0.000010 | 0.000000 | 0.000000 |
6042.243000 | 0.000175 | -0.000059 | 0.000014 | 0.000018 | 0.000034 | -0.000045 | 0.000000 | 0.000000 |
1962.653000 | 0.000780 | -0.000262 | 0.000063 | 0.000079 | 0.000161 | -0.000177 | 0.000000 | 0.000000 |
751.733800 | 0.003092 | -0.001041 | 0.000249 | 0.000314 | 0.000593 | -0.000824 | 0.000000 | 0.000000 |
319.883300 | 0.010909 | -0.003691 | 0.000888 | 0.001113 | 0.002283 | -0.002455 | 0.000000 | 0.000000 |
146.430000 | 0.033211 | -0.011384 | 0.002725 | 0.003432 | 0.006463 | -0.009056 | 0.000000 | 0.000000 |
70.748610 | 0.085883 | -0.030086 | 0.007265 | 0.009094 | 0.018763 | -0.019603 | 0.000000 | 0.000000 |
35.590880 | 0.179524 | -0.065005 | 0.015615 | 0.019666 | 0.036441 | -0.053168 | 0.000000 | 0.000000 |
18.368930 | 0.288888 | -0.108509 | 0.026450 | 0.033048 | 0.071011 | -0.065931 | 0.000000 | 0.000000 |
9.658655 | 0.327696 | -0.131233 | 0.031766 | 0.040202 | 0.071091 | -0.148702 | 0.000000 | 0.000000 |
5.136730 | 0.210070 | -0.051380 | 0.012080 | 0.015012 | 0.058350 | -0.022468 | 0.000000 | 0.000000 |
2.698872 | 0.054925 | 0.179725 | -0.053204 | -0.064097 | -0.185934 | 0.180387 | 0.000000 | 0.000000 |
1.389703 | 0.001824 | 0.396220 | -0.112940 | -0.139875 | -0.329368 | 1.170471 | 0.000000 | 0.000000 |
0.703163 | -0.001583 | 0.391575 | -0.142922 | -0.179527 | -0.544698 | -1.009187 | 0.000000 | 0.000000 |
0.344123 | -0.001001 | 0.173082 | -0.009627 | -0.049988 | 1.160392 | -1.280413 | 0.000000 | 0.000000 |
0.141375 | -0.000060 | 0.018813 | 0.354068 | 0.571018 | 0.531026 | 2.283623 | 0.000000 | 0.000000 |
0.060791 | -0.000016 | -0.000296 | 0.548217 | 0.522446 | -0.967313 | -1.133533 | 0.000000 | 0.000000 |
0.025831 | 0.000003 | 0.000368 | 0.225683 | 0.034855 | -0.081495 | -0.200762 | 1.000000 | 0.000000 |
0.010980 | 0.000000 | 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)