MOLPRO Basis Query, element=I, basis=cc-pVQZ-DK3, l=s
Basis I s cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 635748000.000000 | 0.000037 | -0.000013 | 0.000006 | -0.000003 | -0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 95280060.000000 | 0.000101 | -0.000035 | 0.000016 | -0.000007 | -0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 20543390.000000 | 0.000254 | -0.000088 | 0.000039 | -0.000018 | -0.000006 | 0.000000 | 0.000000 | 0.000000 |
| 5831884.000000 | 0.000512 | -0.000178 | 0.000080 | -0.000036 | -0.000012 | 0.000000 | 0.000000 | 0.000000 |
| 2025098.000000 | 0.000944 | -0.000328 | 0.000147 | -0.000066 | -0.000023 | 0.000000 | 0.000000 | 0.000000 |
| 810182.500000 | 0.001620 | -0.000565 | 0.000253 | -0.000114 | -0.000039 | 0.000000 | 0.000000 | 0.000000 |
| 356147.500000 | 0.002743 | -0.000959 | 0.000429 | -0.000194 | -0.000067 | 0.000000 | 0.000000 | 0.000000 |
| 165903.000000 | 0.004642 | -0.001629 | 0.000730 | -0.000330 | -0.000114 | 0.000000 | 0.000000 | 0.000000 |
| 79767.340000 | 0.008053 | -0.002844 | 0.001276 | -0.000576 | -0.000199 | 0.000000 | 0.000000 | 0.000000 |
| 38891.970000 | 0.014350 | -0.005114 | 0.002298 | -0.001037 | -0.000359 | 0.000000 | 0.000000 | 0.000000 |
| 19031.330000 | 0.026408 | -0.009547 | 0.004296 | -0.001940 | -0.000671 | 0.000000 | 0.000000 | 0.000000 |
| 9306.833000 | 0.049725 | -0.018392 | 0.008309 | -0.003755 | -0.001299 | 0.000000 | 0.000000 | 0.000000 |
| 4550.847000 | 0.093788 | -0.036084 | 0.016388 | -0.007417 | -0.002567 | 0.000000 | 0.000000 | 0.000000 |
| 2234.106000 | 0.168212 | -0.069387 | 0.031878 | -0.014457 | -0.005004 | 0.000000 | 0.000000 | 0.000000 |
| 1108.092000 | 0.260904 | -0.122223 | 0.057239 | -0.026079 | -0.009037 | 0.000000 | 0.000000 | 0.000000 |
| 559.330100 | 0.297729 | -0.172448 | 0.083863 | -0.038483 | -0.013350 | 0.000000 | 0.000000 | 0.000000 |
| 289.339900 | 0.196448 | -0.137575 | 0.069887 | -0.032468 | -0.011299 | 0.000000 | 0.000000 | 0.000000 |
| 154.217900 | 0.053000 | 0.082654 | -0.053616 | 0.026172 | 0.009204 | 0.000000 | 0.000000 | 0.000000 |
| 84.907180 | 0.004181 | 0.400071 | -0.309177 | 0.156958 | 0.055558 | 0.000000 | 0.000000 | 0.000000 |
| 48.209980 | -0.000102 | 0.446634 | -0.454480 | 0.245890 | 0.088157 | 0.000000 | 0.000000 | 0.000000 |
| 28.032450 | 0.000303 | 0.206901 | -0.212132 | 0.120802 | 0.044266 | 0.000000 | 0.000000 | 0.000000 |
| 16.464920 | -0.000319 | 0.036329 | 0.372349 | -0.261530 | -0.099537 | 0.000000 | 0.000000 | 0.000000 |
| 9.559064 | 0.000157 | 0.002092 | 0.699740 | -0.774476 | -0.323946 | 0.000000 | 0.000000 | 0.000000 |
| 5.318588 | -0.000093 | 0.000199 | 0.296681 | -0.310921 | -0.119358 | 0.000000 | 0.000000 | 0.000000 |
| 2.720832 | 0.000052 | -0.000266 | 0.023953 | 0.711597 | 0.385963 | 0.000000 | 0.000000 | 0.000000 |
| 1.406880 | -0.000025 | -0.000001 | 0.001921 | 0.695163 | 0.585653 | 0.000000 | 0.000000 | 0.000000 |
| 0.615504 | 0.000017 | -0.000033 | -0.000209 | 0.103105 | 0.095075 | 0.000000 | 0.000000 | 0.000000 |
| 0.378216 | -0.000012 | 0.000025 | 0.000177 | -0.017112 | -0.598229 | 1.000000 | 0.000000 | 0.000000 |
| 0.178173 | 0.000003 | -0.000005 | -0.000104 | 0.004090 | -0.608990 | 0.000000 | 1.000000 | 0.000000 |
| 0.081977 | -0.000001 | 0.000002 | 0.000013 | -0.000525 | -0.147997 | 0.000000 | 0.000000 | 1.000000 |
Comment: D.H. Bross and K.A. Peterson, Theor. Chem. Acc. 133, 1434(2013)