MOLPRO Basis Query, element=Ni, basis=ANO-RCC, l=s
Basis Ni s ANO-RCC
Primitives | Contractions... |
5048010.000000 | 0.000165 | -0.000051 | 0.000019 | -0.000004 | 0.000005 | -0.000016 | 0.000014 | -0.000022 | 0.000028 | -0.000045 |
755918.100000 | 0.000475 | -0.000148 | 0.000056 | -0.000011 | 0.000014 | -0.000047 | 0.000041 | -0.000062 | 0.000082 | -0.000132 |
172026.200000 | 0.001296 | -0.000405 | 0.000152 | -0.000031 | 0.000038 | -0.000128 | 0.000112 | -0.000169 | 0.000208 | -0.000340 |
48724.570000 | 0.003316 | -0.001041 | 0.000390 | -0.000080 | 0.000098 | -0.000330 | 0.000288 | -0.000444 | 0.000626 | -0.000993 |
15894.890000 | 0.008485 | -0.002679 | 0.001004 | -0.000205 | 0.000250 | -0.000845 | 0.000746 | -0.001103 | 0.001186 | -0.001987 |
5737.468000 | 0.021814 | -0.006970 | 0.002620 | -0.000535 | 0.000662 | -0.002229 | 0.001930 | -0.003042 | 0.004858 | -0.007636 |
2237.051000 | 0.055141 | -0.018061 | 0.006796 | -0.001390 | 0.001688 | -0.005707 | 0.005090 | -0.007351 | 0.006244 | -0.010946 |
927.030200 | 0.128486 | -0.044357 | 0.016843 | -0.003444 | 0.004287 | -0.014447 | 0.012404 | -0.020183 | 0.036876 | -0.058241 |
403.346100 | 0.251354 | -0.097025 | 0.037235 | -0.007633 | 0.009213 | -0.031334 | 0.028405 | -0.039950 | 0.020900 | -0.042376 |
182.428200 | 0.353993 | -0.171588 | 0.068187 | -0.014016 | 0.017743 | -0.060180 | 0.050968 | -0.090038 | 0.207486 | -0.340971 |
84.589170 | 0.270872 | -0.186071 | 0.077249 | -0.016012 | 0.018638 | -0.064928 | 0.063356 | -0.074546 | -0.115540 | 0.180075 |
38.422930 | 0.065403 | 0.060521 | -0.027666 | 0.005836 | -0.004722 | 0.024989 | -0.042028 | 0.031750 | 0.463504 | -0.600551 |
18.468790 | -0.001122 | 0.526219 | -0.323419 | 0.070361 | -0.094823 | 0.327292 | -0.264887 | 0.643293 | -2.429756 | 5.252168 |
8.868190 | 0.001814 | 0.489163 | -0.449158 | 0.103023 | -0.129130 | 0.588309 | -0.655077 | 0.774550 | 2.357757 | -10.419962 |
3.918870 | -0.000837 | 0.084519 | 0.169810 | -0.048771 | 0.088427 | -1.003899 | 1.522848 | -3.978610 | 1.510482 | 11.969912 |
1.839853 | 0.000360 | -0.001921 | 0.724251 | -0.215274 | 0.355891 | -0.955300 | 0.027118 | 4.133624 | -4.865782 | -9.445063 |
0.804663 | -0.000139 | 0.001966 | 0.372973 | -0.220489 | 0.043644 | 1.442502 | -1.343843 | -1.108081 | 4.341332 | 4.503751 |
0.169846 | 0.000055 | -0.000399 | 0.018398 | 0.311192 | -0.773829 | 0.481492 | 0.668978 | -2.882248 | -5.039531 | -2.821634 |
0.079370 | -0.000051 | 0.000408 | -0.007050 | 0.480661 | -0.485403 | -0.594284 | 1.662823 | 5.365444 | 6.339899 | 3.004938 |
0.034700 | 0.000025 | -0.000183 | 0.004986 | 0.349971 | 0.688619 | -1.004802 | -3.475996 | -4.112128 | -3.880359 | -1.650054 |
0.013880 | -0.000007 | 0.000054 | -0.000879 | 0.015652 | 0.633150 | 1.178164 | 2.012276 | 1.397039 | 1.142241 | 0.457987 |
Comment: nickel (21s,15p,10d,6f,4g,2h) -> [10s,9p,8d,6f,4g,2h] converted by Basis Set Exchange