MOLPRO Basis Query, element=I, basis=ROOS_DZP, l=p
Basis I p ROOS_DZP
Primitives | Contractions... |
1299065.810000 | 0.000039 | -0.000018 | 0.000008 | -0.000002 | 0.000003 |
187865.250000 | 0.000159 | -0.000075 | 0.000033 | -0.000010 | 0.000012 |
39958.585500 | 0.000630 | -0.000297 | 0.000130 | -0.000038 | 0.000049 |
10832.186200 | 0.002453 | -0.001160 | 0.000507 | -0.000149 | 0.000192 |
3536.366120 | 0.009262 | -0.004416 | 0.001939 | -0.000571 | 0.000736 |
1325.481010 | 0.032535 | -0.015723 | 0.006891 | -0.002027 | 0.002615 |
549.032522 | 0.098630 | -0.049152 | 0.021789 | -0.006422 | 0.008283 |
244.486136 | 0.233542 | -0.121906 | 0.054211 | -0.015985 | 0.020642 |
114.464314 | 0.376946 | -0.210117 | 0.095828 | -0.028384 | 0.036672 |
55.435736 | 0.327399 | -0.148524 | 0.061015 | -0.017708 | 0.022898 |
26.800801 | 0.105216 | 0.237287 | -0.148038 | 0.046067 | -0.060700 |
13.239663 | 0.004235 | 0.572275 | -0.405507 | 0.129807 | -0.170590 |
6.622352 | 0.001543 | 0.307637 | -0.108883 | 0.024599 | -0.043248 |
3.091337 | -0.000802 | 0.033710 | 0.589059 | -0.242455 | 0.418919 |
1.415086 | 0.000271 | 0.000251 | 0.538448 | -0.251304 | 0.241477 |
0.535047 | -0.000139 | 0.000235 | 0.071934 | 0.251776 | -0.834291 |
0.222755 | 0.000072 | -0.000124 | -0.006649 | 0.615045 | -0.302266 |
0.083139 | -0.000031 | 0.000033 | 0.003370 | 0.311739 | 0.781977 |
0.033256 | 0.000010 | -0.000013 | -0.000938 | 0.021282 | 0.293386 |
Comment: B. O. Roos, R. Lindh, P.-A. Malmqvist, V. Veryazov, and P.-O. Widmark, J. Phys. Chem. A 108, 2851 (2005)