|   | Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | 
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| You are here: Calculated > Energy > Optimized > Hydrogen bonds | |
| Dimer | H Donor | H Acceptor | comment | |||
|---|---|---|---|---|---|---|
| H2OCH3OH | water methanol dimer | H2O | Water | CH3OH | Methyl alcohol | |
Energy components
| Dimer | Donor | Acceptor | difference | ||
|---|---|---|---|---|---|
| Energy (hartrees) | -192.017440 | -76.380342 | -115.630627 | 0.006472 | 17.0 kJ mol-1 | 
| Vibrational zero point energy (cm-1) | 15904 | 4494 | 10766 | -644 | -7.7 kJ mol-1 | 
| Total | 9.3 kJ mol-1 | ||||