H2o-dimer(cp2k) | H2O-dimer(gaussian) |
Energy = -152.89098920 | Energy = -152.8967947 |
Frequencies | Frequencies |
-44 | 128 |
15 | 156 |
95 | 157 |
98 | 184 |
136 | 360 |
224 | 634 |
1619 | 1617 |
1622 | 1637 |
3787 | 3672 |
3792 | 3789 |
3898 | 3874 |
3900 | 3895 |
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