MOLPRO Basis Query, element=Cr, basis=AWCV5Z-DK, l=s
Basis Cr s AWCV5Z-DK
Primitives | Contractions... |
135540000.000000 | 0.000008 | -0.000004 | 0.000001 | -0.000000 | -0.000000 | -0.000001 | 0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
24240400.000000 | 0.000019 | -0.000011 | 0.000002 | -0.000001 | -0.000001 | -0.000002 | 0.000002 | -0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5412270.000000 | 0.000055 | -0.000030 | 0.000007 | -0.000001 | -0.000003 | -0.000005 | 0.000006 | -0.000007 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1447920.000000 | 0.000130 | -0.000072 | 0.000016 | -0.000004 | -0.000007 | -0.000011 | 0.000014 | -0.000017 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
448199.000000 | 0.000293 | -0.000162 | 0.000035 | -0.000008 | -0.000016 | -0.000024 | 0.000031 | -0.000038 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
155899.000000 | 0.000624 | -0.000346 | 0.000075 | -0.000017 | -0.000034 | -0.000052 | 0.000066 | -0.000083 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
59479.600000 | 0.001312 | -0.000729 | 0.000157 | -0.000036 | -0.000072 | -0.000111 | 0.000136 | -0.000167 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
24408.100000 | 0.002758 | -0.001535 | 0.000331 | -0.000076 | -0.000150 | -0.000230 | 0.000297 | -0.000376 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
10607.000000 | 0.005887 | -0.003286 | 0.000711 | -0.000162 | -0.000326 | -0.000504 | 0.000607 | -0.000732 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4823.080000 | 0.012753 | -0.007158 | 0.001556 | -0.000355 | -0.000700 | -0.001070 | 0.001420 | -0.001832 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2274.080000 | 0.027640 | -0.015671 | 0.003431 | -0.000783 | -0.001585 | -0.002457 | 0.002878 | -0.003406 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1104.540000 | 0.058030 | -0.033545 | 0.007463 | -0.001704 | -0.003337 | -0.005096 | 0.006949 | -0.009120 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
550.099000 | 0.112940 | -0.067735 | 0.015470 | -0.003533 | -0.007203 | -0.011215 | 0.012757 | -0.014783 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
280.010000 | 0.191479 | -0.123392 | 0.029681 | -0.006786 | -0.013185 | -0.020089 | 0.028633 | -0.038665 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
145.330000 | 0.255400 | -0.189132 | 0.049466 | -0.011333 | -0.023527 | -0.037047 | 0.039316 | -0.043118 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
76.755100 | 0.224181 | -0.211881 | 0.062981 | -0.014485 | -0.027116 | -0.040840 | 0.069605 | -0.103238 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
41.159400 | 0.104621 | -0.108825 | 0.034461 | -0.007974 | -0.020253 | -0.034659 | 0.007793 | 0.020751 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
22.344500 | 0.052261 | 0.141862 | -0.068544 | 0.016013 | 0.040862 | 0.070176 | -0.012050 | -0.039145 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
12.229300 | 0.094326 | 0.434002 | -0.261834 | 0.063267 | 0.115128 | 0.183911 | -0.442773 | 0.765027 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.707770 | 0.089894 | 0.420594 | -0.373486 | 0.094722 | 0.235759 | 0.435264 | -0.387757 | 0.458390 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.656940 | 0.029583 | 0.138317 | -0.093747 | 0.021467 | -0.014955 | -0.114545 | 0.101532 | -0.816224 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.959780 | 0.002603 | 0.011789 | 0.403185 | -0.119979 | -0.256869 | -0.765849 | 2.413483 | -4.256662 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.017580 | 0.000153 | -0.000563 | 0.592844 | -0.217955 | -0.760896 | -1.322808 | -1.313576 | 8.795454 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.512913 | -0.000031 | -0.000634 | 0.271001 | -0.204956 | 0.123166 | 2.312588 | -2.670471 | -6.367424 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.194798 | 0.000003 | -0.000062 | 0.020940 | 0.025360 | 1.333679 | 1.144492 | 5.144031 | -0.077182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.110969 | 0.000014 | 0.000102 | -0.003770 | 0.408364 | 0.311684 | -2.728142 | -2.532267 | 4.994838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.052123 | 0.000022 | 0.000088 | 0.003103 | 0.553812 | -0.712065 | 0.172358 | -2.001278 | -5.536987 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.024489 | 0.000007 | 0.000035 | 0.000229 | 0.176991 | -0.525450 | 1.016956 | 1.772875 | 2.411533 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
5.277600 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.754200 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011510 | 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: basis set from gbasis database