MOLPRO Basis Query, element=In, basis=aug-cc-pVQZ-DK, l=p
Basis In p aug-cc-pVQZ-DK
Primitives | Contractions... |
7439121.000000 | 0.000007 | -0.000003 | -0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1181382.000000 | 0.000022 | -0.000010 | -0.000004 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
252854.200000 | 0.000073 | -0.000034 | -0.000014 | -0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
68246.150000 | 0.000222 | -0.000102 | -0.000042 | -0.000008 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
22008.970000 | 0.000671 | -0.000309 | -0.000126 | -0.000025 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8125.568000 | 0.002030 | -0.000939 | -0.000385 | -0.000077 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3322.459000 | 0.006149 | -0.002855 | -0.001171 | -0.000234 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1467.587000 | 0.018102 | -0.008506 | -0.003495 | -0.000695 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
687.712200 | 0.049602 | -0.023692 | -0.009767 | -0.001955 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
337.511200 | 0.119118 | -0.058884 | -0.024432 | -0.004863 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
171.923500 | 0.230859 | -0.119066 | -0.049828 | -0.010009 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
90.295890 | 0.328110 | -0.179413 | -0.076083 | -0.015128 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
48.619060 | 0.287306 | -0.136163 | -0.055135 | -0.011232 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
26.670880 | 0.125838 | 0.092745 | 0.059781 | 0.013140 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
14.783570 | 0.022066 | 0.391874 | 0.229235 | 0.046923 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8.183739 | 0.001228 | 0.452344 | 0.308081 | 0.067927 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4.449786 | 0.000164 | 0.182510 | -0.026634 | -0.016637 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.322517 | -0.000145 | 0.020714 | -0.477943 | -0.117559 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.174257 | -0.000006 | 0.001323 | -0.491371 | -0.149275 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.566585 | -0.000021 | 0.000222 | -0.169505 | -0.014893 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.201509 | 0.000003 | 0.000000 | -0.010179 | 0.321038 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.079190 | -0.000002 | -0.000006 | 0.000567 | 0.550027 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.031109 | 0.000001 | 0.000000 | -0.000289 | 0.270979 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.010023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: D.H. Bross and K.A. Peterson, Theor. Chem. Acc. 133, 1434(2013)
|