MOLPRO Basis Query, element=Au, basis=ANO-RCC, l=s
Basis Au s ANO-RCC
Primitives | Contractions... |
51355337.800000 | 0.001063 | -0.000412 | 0.000197 | -0.000099 | 0.000043 | -0.000012 | 0.000015 | -0.000025 | 0.000035 | -0.000056 |
11629474.100000 | 0.001492 | -0.000580 | 0.000278 | -0.000139 | 0.000060 | -0.000016 | 0.000021 | -0.000036 | 0.000049 | -0.000078 |
3252136.260000 | 0.003849 | -0.001499 | 0.000718 | -0.000359 | 0.000155 | -0.000043 | 0.000053 | -0.000092 | 0.000127 | -0.000203 |
998349.722000 | 0.007303 | -0.002858 | 0.001371 | -0.000685 | 0.000296 | -0.000081 | 0.000101 | -0.000176 | 0.000241 | -0.000384 |
331601.135000 | 0.015015 | -0.005922 | 0.002844 | -0.001421 | 0.000615 | -0.000169 | 0.000211 | -0.000365 | 0.000507 | -0.000809 |
117200.254000 | 0.028802 | -0.011512 | 0.005540 | -0.002769 | 0.001199 | -0.000329 | 0.000411 | -0.000711 | 0.000968 | -0.001536 |
43712.562700 | 0.055889 | -0.022846 | 0.011038 | -0.005521 | 0.002393 | -0.000657 | 0.000819 | -0.001423 | 0.002000 | -0.003203 |
17030.047300 | 0.105898 | -0.044941 | 0.021846 | -0.010949 | 0.004738 | -0.001301 | 0.001624 | -0.002806 | 0.003750 | -0.005912 |
6865.215440 | 0.193827 | -0.088003 | 0.043301 | -0.021745 | 0.009448 | -0.002596 | 0.003230 | -0.005631 | 0.008129 | -0.013128 |
2852.804220 | 0.306177 | -0.156533 | 0.078665 | -0.039779 | 0.017213 | -0.004726 | 0.005912 | -0.010165 | 0.012950 | -0.020113 |
1222.377300 | 0.333068 | -0.203952 | 0.106360 | -0.054094 | 0.023701 | -0.006524 | 0.008077 | -0.014266 | 0.022792 | -0.037870 |
536.362090 | 0.157828 | -0.032475 | 0.007510 | -0.002912 | 0.000651 | -0.000145 | 0.000343 | 0.000143 | -0.009144 | 0.018979 |
244.356338 | 0.010200 | 0.462084 | -0.382168 | 0.219676 | -0.096883 | 0.026686 | -0.033794 | 0.056759 | -0.053737 | 0.075458 |
115.700795 | 0.003196 | 0.549371 | -0.632590 | 0.394802 | -0.184772 | 0.051467 | -0.063116 | 0.115498 | -0.228423 | 0.403655 |
56.509805 | -0.002558 | 0.123496 | 0.213855 | -0.194488 | 0.107328 | -0.030768 | 0.035720 | -0.076581 | 0.274553 | -0.545757 |
28.252574 | 0.001775 | 0.005666 | 0.907123 | -1.134012 | 0.593458 | -0.168031 | 0.218516 | -0.359012 | 0.168492 | -0.115869 |
13.817479 | -0.001134 | -0.002255 | 0.248963 | -0.003733 | 0.003832 | -0.002520 | -0.011784 | -0.025429 | 0.709018 | -1.608562 |
6.657107 | 0.000666 | 0.001206 | 0.003446 | 1.112354 | -1.106107 | 0.354225 | -0.432826 | 0.900589 | -2.779567 | 6.811050 |
3.127416 | -0.000337 | -0.000830 | 0.001142 | 0.279445 | -0.185380 | 0.053118 | -0.124402 | 0.077270 | 2.423065 | -10.330513 |
1.329576 | 0.000150 | 0.000526 | 0.000263 | -0.000054 | 1.111180 | -0.528848 | 0.960541 | -2.223337 | 1.057842 | 9.433329 |
0.515008 | -0.000075 | -0.000148 | 0.000189 | 0.002841 | 0.323180 | -0.255617 | -0.112017 | 2.045046 | -4.671109 | -7.213850 |
0.206003 | 0.000040 | 0.000100 | -0.000022 | -0.000897 | -0.021961 | 0.402266 | -0.920796 | 0.959312 | 6.032223 | 5.123609 |
0.082401 | -0.000019 | -0.000046 | 0.000009 | 0.000391 | 0.011843 | 0.585651 | -0.632099 | -2.912321 | -4.525127 | -2.837933 |
0.032960 | 0.000005 | 0.000013 | -0.000002 | -0.000107 | -0.002722 | 0.283907 | 1.411215 | 1.696713 | 1.679729 | 0.902076 |
Comment: gold (24s,21p,15d,11f,4g,2h) -> [10s,9p,8d,6f,4g,2h] converted by Basis Set Exchange