MOLPRO Basis Query, element=Re, basis=cc-pwCVTZ-DK3, l=d
Basis Re d cc-pwCVTZ-DK3
Primitives | Contractions... |
41451.360000 | 0.000025 | -0.000013 | 0.000003 | -0.000003 | 0.000005 | 0.000000 | 0.000000 | 0.000000 |
11337.330000 | 0.000151 | -0.000077 | 0.000019 | -0.000019 | 0.000027 | 0.000000 | 0.000000 | 0.000000 |
3846.434000 | 0.000840 | -0.000432 | 0.000106 | -0.000107 | 0.000152 | 0.000000 | 0.000000 | 0.000000 |
1539.756000 | 0.003863 | -0.001991 | 0.000489 | -0.000491 | 0.000689 | 0.000000 | 0.000000 | 0.000000 |
697.505800 | 0.014785 | -0.007692 | 0.001890 | -0.001905 | 0.002717 | 0.000000 | 0.000000 | 0.000000 |
345.461900 | 0.045379 | -0.023789 | 0.005859 | -0.005886 | 0.008267 | 0.000000 | 0.000000 | 0.000000 |
181.917600 | 0.113494 | -0.060700 | 0.014983 | -0.015122 | 0.021650 | 0.000000 | 0.000000 | 0.000000 |
99.600460 | 0.220467 | -0.118117 | 0.029206 | -0.029343 | 0.041108 | 0.000000 | 0.000000 | 0.000000 |
55.704110 | 0.320286 | -0.166979 | 0.041016 | -0.041358 | 0.059327 | 0.000000 | 0.000000 | 0.000000 |
31.385540 | 0.306223 | -0.114742 | 0.025638 | -0.024881 | 0.030896 | 0.000000 | 0.000000 | 0.000000 |
17.620920 | 0.155192 | 0.123391 | -0.042893 | 0.044781 | -0.066950 | 0.000000 | 0.000000 | 0.000000 |
9.770139 | 0.037129 | 0.378666 | -0.114120 | 0.119261 | -0.181381 | 0.000000 | 0.000000 | 0.000000 |
5.308244 | 0.006094 | 0.412252 | -0.122517 | 0.118544 | -0.151341 | 0.000000 | 0.000000 | 0.000000 |
2.804698 | 0.002216 | 0.205011 | 0.006715 | -0.014467 | 0.070573 | 0.000000 | 0.000000 | 0.000000 |
1.400154 | 0.000309 | 0.037002 | 0.229954 | -0.310512 | 0.690415 | 0.000000 | 0.000000 | 0.000000 |
0.671925 | 0.000042 | 0.001330 | 0.375543 | -0.443925 | 0.107047 | 0.000000 | 0.000000 | 0.000000 |
0.307959 | -0.000012 | 0.000366 | 0.358011 | 0.093594 | -0.997019 | 0.000000 | 0.000000 | 0.000000 |
0.133604 | 0.000004 | -0.000091 | 0.219524 | 0.597343 | 0.118811 | 0.000000 | 0.000000 | 0.000000 |
0.053619 | -0.000002 | 0.000031 | 0.059935 | 0.334172 | 0.685704 | 1.000000 | 0.000000 | 0.000000 |
3.317700 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.791900 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database