MOLPRO Basis Query, element=Ti, basis=AWCV5Z-DK, l=s
Basis Ti s AWCV5Z-DK
Primitives | Contractions... |
122647000.000000 | 0.000007 | -0.000004 | 0.000001 | -0.000000 | 0.000000 | -0.000001 | -0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
21956200.000000 | 0.000016 | -0.000009 | 0.000002 | -0.000000 | 0.000001 | -0.000001 | -0.000001 | -0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4902330.000000 | 0.000046 | -0.000026 | 0.000005 | -0.000001 | 0.000002 | -0.000004 | -0.000004 | -0.000006 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1310600.000000 | 0.000110 | -0.000062 | 0.000013 | -0.000003 | 0.000006 | -0.000009 | -0.000010 | -0.000014 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
405228.000000 | 0.000248 | -0.000141 | 0.000029 | -0.000007 | 0.000013 | -0.000019 | -0.000023 | -0.000032 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
140757.000000 | 0.000534 | -0.000304 | 0.000062 | -0.000015 | 0.000027 | -0.000042 | -0.000049 | -0.000070 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
53625.100000 | 0.001134 | -0.000645 | 0.000131 | -0.000031 | 0.000058 | -0.000089 | -0.000105 | -0.000141 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
21976.200000 | 0.002409 | -0.001374 | 0.000280 | -0.000066 | 0.000124 | -0.000188 | -0.000222 | -0.000331 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
9539.600000 | 0.005206 | -0.002976 | 0.000608 | -0.000144 | 0.000269 | -0.000412 | -0.000491 | -0.000619 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4334.370000 | 0.011416 | -0.006559 | 0.001346 | -0.000319 | 0.000597 | -0.000900 | -0.001062 | -0.001675 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2042.890000 | 0.025006 | -0.014495 | 0.002996 | -0.000710 | 0.001328 | -0.002038 | -0.002437 | -0.002881 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
992.308000 | 0.052998 | -0.031268 | 0.006562 | -0.001557 | 0.002909 | -0.004373 | -0.005148 | -0.008577 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
494.446000 | 0.104300 | -0.063597 | 0.013692 | -0.003247 | 0.006076 | -0.009371 | -0.011255 | -0.012347 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
251.907000 | 0.179922 | -0.117068 | 0.026482 | -0.006292 | 0.011766 | -0.017618 | -0.020701 | -0.037462 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
130.905000 | 0.247889 | -0.182820 | 0.044889 | -0.010671 | 0.020013 | -0.031277 | -0.038012 | -0.034335 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
69.236800 | 0.230896 | -0.214270 | 0.059766 | -0.014283 | 0.026780 | -0.039460 | -0.046003 | -0.109750 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
37.184700 | 0.117129 | -0.131222 | 0.040316 | -0.009632 | 0.018261 | -0.031648 | -0.041540 | 0.034475 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
20.215700 | 0.051303 | 0.092189 | -0.044124 | 0.010572 | -0.020078 | 0.038089 | 0.048764 | -0.113377 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.076500 | 0.090908 | 0.385954 | -0.211473 | 0.052677 | -0.101426 | 0.150210 | 0.192596 | 0.692772 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.078670 | 0.103899 | 0.451563 | -0.364071 | 0.094699 | -0.191163 | 0.356848 | 0.543590 | 0.300572 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.312770 | 0.042772 | 0.186298 | -0.184723 | 0.048387 | -0.091958 | 0.095796 | -0.054076 | 0.499068 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.772500 | 0.004699 | 0.020231 | 0.308116 | -0.095367 | 0.238265 | -0.593150 | -1.303388 | -5.408091 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.917378 | 0.000264 | -0.000066 | 0.606601 | -0.211625 | 0.587726 | -1.402987 | -1.368498 | 7.011781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.469283 | -0.000065 | -0.000893 | 0.346808 | -0.238194 | 0.365623 | 1.294855 | 4.853028 | -1.604168 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.219267 | 0.000011 | -0.000062 | 0.040589 | -0.052466 | -0.995293 | 2.105035 | -3.276298 | -5.476332 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.105811 | 0.000000 | 0.000018 | -0.000391 | 0.386987 | -1.062993 | -2.345489 | -1.566841 | 8.395807 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.048443 | 0.000016 | 0.000058 | 0.002502 | 0.603762 | 0.776795 | -0.665903 | 4.204035 | -6.422732 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.022535 | 0.000003 | 0.000016 | 0.000402 | 0.204107 | 0.626040 | 1.366180 | -2.348651 | 2.406949 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.255300 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.253800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.010480 | 0.000000 | 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