MOLPRO Basis Query, element=S, basis=aug-cc-pV5Z-DK, l=s
Basis S s aug-cc-pV5Z-DK
Primitives | Contractions... |
5481000.000000 | 0.000033 | 0.000009 | 0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
820600.000000 | 0.000097 | 0.000027 | 0.000008 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
186700.000000 | 0.000267 | 0.000074 | 0.000022 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
52880.000000 | 0.000695 | 0.000193 | 0.000056 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17250.000000 | 0.001813 | 0.000505 | 0.000147 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6226.000000 | 0.004793 | 0.001342 | 0.000389 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2429.000000 | 0.012768 | 0.003596 | 0.001046 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1007.000000 | 0.032881 | 0.009414 | 0.002737 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
439.500000 | 0.078307 | 0.023130 | 0.006765 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
199.800000 | 0.164272 | 0.051992 | 0.015246 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
93.920000 | 0.279500 | 0.101019 | 0.030149 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.340000 | 0.331237 | 0.156675 | 0.047677 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
22.150000 | 0.207675 | 0.137263 | 0.044152 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
10.340000 | 0.041033 | -0.085183 | -0.030909 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5.119000 | -0.000436 | -0.432827 | -0.170244 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.553000 | 0.001659 | -0.478820 | -0.310855 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.282000 | -0.000505 | -0.153998 | -0.132130 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.545000 | 0.000183 | -0.007653 | 0.426935 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.241100 | -0.000097 | -0.000385 | 0.611715 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.103500 | 0.000020 | -0.000222 | 0.197597 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.042000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database