MOLPRO Basis Query, element=Ti, basis=aug-cc-pwCV5Z, l=s
Basis Ti s aug-cc-pwCV5Z
Primitives | Contractions... |
122647000.000000 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
21956200.000000 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4902330.000000 | 0.000003 | -0.000002 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1310600.000000 | 0.000013 | -0.000007 | 0.000001 | -0.000000 | 0.000001 | -0.000001 | -0.000001 | -0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
405228.000000 | 0.000049 | -0.000028 | 0.000006 | -0.000001 | 0.000002 | -0.000004 | -0.000004 | -0.000006 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
140757.000000 | 0.000166 | -0.000095 | 0.000019 | -0.000004 | 0.000008 | -0.000013 | -0.000015 | -0.000023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
53625.100000 | 0.000508 | -0.000292 | 0.000058 | -0.000014 | 0.000025 | -0.000039 | -0.000047 | -0.000060 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
21976.200000 | 0.001435 | -0.000826 | 0.000165 | -0.000039 | 0.000072 | -0.000110 | -0.000130 | -0.000203 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
9539.600000 | 0.003802 | -0.002192 | 0.000438 | -0.000103 | 0.000191 | -0.000298 | -0.000356 | -0.000436 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4334.370000 | 0.009524 | -0.005514 | 0.001107 | -0.000261 | 0.000484 | -0.000739 | -0.000868 | -0.001410 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2042.890000 | 0.022569 | -0.013173 | 0.002663 | -0.000628 | 0.001164 | -0.001814 | -0.002176 | -0.002544 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
992.308000 | 0.050051 | -0.029728 | 0.006104 | -0.001442 | 0.002669 | -0.004069 | -0.004768 | -0.008077 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
494.446000 | 0.101241 | -0.062135 | 0.013100 | -0.003093 | 0.005731 | -0.008975 | -0.010813 | -0.011862 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
251.907000 | 0.177764 | -0.116418 | 0.025835 | -0.006111 | 0.011321 | -0.017206 | -0.020094 | -0.036765 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
130.905000 | 0.247916 | -0.184116 | 0.044493 | -0.010528 | 0.019553 | -0.031009 | -0.037880 | -0.034646 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
69.236800 | 0.232675 | -0.218509 | 0.060331 | -0.014355 | 0.026673 | -0.039945 | -0.046033 | -0.110150 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
37.184700 | 0.117887 | -0.138087 | 0.042604 | -0.010135 | 0.019002 | -0.033178 | -0.044448 | 0.029286 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
20.215700 | 0.051059 | 0.084189 | -0.040394 | 0.009607 | -0.017993 | 0.035085 | 0.047212 | -0.114952 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.076500 | 0.093077 | 0.381165 | -0.207569 | 0.051444 | -0.098133 | 0.147219 | 0.183419 | 0.680884 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.078670 | 0.108685 | 0.455700 | -0.365465 | 0.094539 | -0.188666 | 0.356640 | 0.552064 | 0.323958 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.312770 | 0.045644 | 0.191797 | -0.193694 | 0.050743 | -0.096338 | 0.109065 | -0.045858 | 0.526771 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.772500 | 0.005168 | 0.021520 | 0.298834 | -0.092062 | 0.227544 | -0.575627 | -1.247269 | -5.392594 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.917378 | 0.000323 | 0.000196 | 0.606771 | -0.208853 | 0.571664 | -1.403845 | -1.478369 | 6.766582 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.469283 | -0.000050 | -0.000809 | 0.355215 | -0.239733 | 0.384251 | 1.201553 | 4.820752 | -1.192654 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.219267 | 0.000013 | -0.000054 | 0.042852 | -0.060209 | -0.940289 | 2.163741 | -3.007881 | -5.840986 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.105811 | -0.000000 | 0.000017 | -0.000484 | 0.378545 | -1.105239 | -2.238399 | -1.891115 | 8.579205 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.048443 | 0.000017 | 0.000061 | 0.002744 | 0.606463 | 0.726315 | -0.810837 | 4.376435 | -6.438243 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.022535 | 0.000004 | 0.000018 | 0.000458 | 0.213158 | 0.671720 | 1.414545 | -2.380217 | 2.383943 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.238200 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.250500 | 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