MOLPRO Basis Query, element=I, basis=aug-cc-pwCVQZ-DK, l=s
Basis I s aug-cc-pwCVQZ-DK
| Primitives | Contractions... |
|---|
| 635748000.000000 | 0.000039 | -0.000013 | 0.000006 | -0.000003 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 95280060.000000 | 0.000102 | -0.000035 | 0.000016 | -0.000007 | -0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 20543390.000000 | 0.000256 | -0.000089 | 0.000040 | -0.000018 | -0.000006 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5831884.000000 | 0.000512 | -0.000178 | 0.000080 | -0.000036 | -0.000012 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2025098.000000 | 0.000943 | -0.000328 | 0.000147 | -0.000066 | -0.000023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 810182.500000 | 0.001613 | -0.000562 | 0.000252 | -0.000114 | -0.000039 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 356147.500000 | 0.002734 | -0.000956 | 0.000428 | -0.000193 | -0.000067 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 165903.000000 | 0.004623 | -0.001623 | 0.000728 | -0.000328 | -0.000114 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 79767.340000 | 0.008027 | -0.002836 | 0.001272 | -0.000574 | -0.000199 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 38891.970000 | 0.014304 | -0.005099 | 0.002291 | -0.001034 | -0.000358 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 19031.330000 | 0.026342 | -0.009526 | 0.004287 | -0.001936 | -0.000670 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9306.833000 | 0.049622 | -0.018358 | 0.008295 | -0.003749 | -0.001296 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4550.847000 | 0.093651 | -0.036039 | 0.016369 | -0.007409 | -0.002563 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2234.106000 | 0.168052 | -0.069331 | 0.031855 | -0.014446 | -0.004999 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1108.092000 | 0.260814 | -0.122186 | 0.057224 | -0.026073 | -0.009033 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 559.330100 | 0.297830 | -0.172495 | 0.083889 | -0.038496 | -0.013352 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 289.339900 | 0.196713 | -0.137807 | 0.070010 | -0.032525 | -0.011317 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 154.217900 | 0.053148 | 0.082264 | -0.053377 | 0.026056 | 0.009163 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 84.907180 | 0.004203 | 0.399840 | -0.308953 | 0.156840 | 0.055504 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 48.209980 | -0.000105 | 0.446838 | -0.454600 | 0.245942 | 0.088167 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 28.032450 | 0.000306 | 0.207192 | -0.212658 | 0.121113 | 0.044358 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 16.464920 | -0.000321 | 0.036428 | 0.371812 | -0.261062 | -0.099311 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9.559064 | 0.000158 | 0.002096 | 0.699931 | -0.774452 | -0.119667 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5.318588 | -0.000094 | 0.000200 | 0.297079 | -0.311732 | 0.095730 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.720832 | 0.000053 | -0.000267 | 0.024027 | 0.711103 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.406880 | -0.000025 | -0.000001 | 0.001922 | 0.695679 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.615504 | 0.000017 | -0.000033 | -0.000207 | 0.103315 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.378216 | -0.000012 | 0.000025 | 0.000176 | -0.017152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.178173 | 0.000003 | -0.000005 | -0.000104 | 0.004103 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.081977 | -0.000001 | 0.000002 | 0.000013 | -0.000526 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.032054 | 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: D.H. Bross and K.A. Peterson, Theor. Chem. Acc. 133, 1434(2013)