MOLPRO Basis Query, element=I, basis=aug-cc-pVTZ-DK3, l=s
Basis I s aug-cc-pVTZ-DK3
| Primitives | Contractions... |
|---|
| 599446700.000000 | 0.000038 | -0.000013 | 0.000006 | -0.000003 | 0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 90556350.000000 | 0.000105 | -0.000036 | 0.000016 | -0.000007 | 0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 19199470.000000 | 0.000272 | -0.000094 | 0.000042 | -0.000019 | 0.000007 | 0.000000 | 0.000000 | 0.000000 |
| 5255505.000000 | 0.000574 | -0.000199 | 0.000089 | -0.000040 | 0.000014 | 0.000000 | 0.000000 | 0.000000 |
| 1734341.000000 | 0.001117 | -0.000389 | 0.000174 | -0.000078 | 0.000027 | 0.000000 | 0.000000 | 0.000000 |
| 653101.500000 | 0.002042 | -0.000712 | 0.000319 | -0.000144 | 0.000050 | 0.000000 | 0.000000 | 0.000000 |
| 268892.600000 | 0.003679 | -0.001288 | 0.000577 | -0.000260 | 0.000090 | 0.000000 | 0.000000 | 0.000000 |
| 117233.900000 | 0.006629 | -0.002333 | 0.001046 | -0.000472 | 0.000163 | 0.000000 | 0.000000 | 0.000000 |
| 52921.290000 | 0.012178 | -0.004321 | 0.001940 | -0.000876 | 0.000303 | 0.000000 | 0.000000 | 0.000000 |
| 24380.480000 | 0.022895 | -0.008230 | 0.003700 | -0.001670 | 0.000577 | 0.000000 | 0.000000 | 0.000000 |
| 11374.440000 | 0.044006 | -0.016153 | 0.007291 | -0.003295 | 0.001141 | 0.000000 | 0.000000 | 0.000000 |
| 5361.031000 | 0.084857 | -0.032288 | 0.014635 | -0.006620 | 0.002287 | 0.000000 | 0.000000 | 0.000000 |
| 2556.631000 | 0.156794 | -0.063610 | 0.029161 | -0.013222 | 0.004582 | 0.000000 | 0.000000 | 0.000000 |
| 1238.741000 | 0.253535 | -0.115755 | 0.053955 | -0.024549 | 0.008485 | 0.000000 | 0.000000 | 0.000000 |
| 613.056800 | 0.306907 | -0.171892 | 0.083170 | -0.038149 | 0.013275 | 0.000000 | 0.000000 | 0.000000 |
| 311.509900 | 0.218486 | -0.152888 | 0.077142 | -0.035707 | 0.012297 | 0.000000 | 0.000000 | 0.000000 |
| 163.105300 | 0.064357 | 0.055994 | -0.036587 | 0.017708 | -0.005925 | 0.000000 | 0.000000 | 0.000000 |
| 88.063970 | 0.005081 | 0.396688 | -0.302660 | 0.153621 | -0.055068 | 0.000000 | 0.000000 | 0.000000 |
| 48.855120 | 0.000070 | 0.470945 | -0.474057 | 0.254649 | -0.089583 | 0.000000 | 0.000000 | 0.000000 |
| 27.592660 | 0.000159 | 0.211619 | -0.214341 | 0.126405 | -0.049791 | 0.000000 | 0.000000 | 0.000000 |
| 15.609330 | -0.000207 | 0.031056 | 0.471848 | -0.354286 | 0.142508 | 0.000000 | 0.000000 | 0.000000 |
| 8.629135 | 0.000085 | 0.001260 | 0.716500 | -0.835337 | 0.342596 | 0.000000 | 0.000000 | 0.000000 |
| 4.503823 | -0.000053 | 0.000062 | 0.200727 | -0.086495 | 0.029201 | 0.000000 | 0.000000 | 0.000000 |
| 2.346097 | 0.000032 | -0.000231 | 0.005067 | 0.861727 | -0.513105 | 0.000000 | 0.000000 | 0.000000 |
| 1.179513 | -0.000011 | 0.000003 | 0.002907 | 0.531717 | -0.497887 | 0.000000 | 0.000000 | 0.000000 |
| 0.415996 | 0.000004 | -0.000009 | -0.000619 | 0.032685 | 0.447153 | 1.000000 | 0.000000 | 0.000000 |
| 0.204876 | -0.000003 | 0.000009 | 0.000293 | -0.006633 | 0.650997 | 0.000000 | 0.000000 | 0.000000 |
| 0.095504 | 0.000001 | -0.000001 | -0.000094 | 0.001651 | 0.233240 | 0.000000 | 1.000000 | 0.000000 |
| 0.044093 | 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)