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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 | |||
|---|---|---|---|---|---|---|
| HCOOHH2O | Formic acid water dimer | HCOOH | Formic acid | H2O | Water | |
Energy components
| Dimer | Donor | Acceptor | difference | ||
|---|---|---|---|---|---|
| Energy (hartrees) | -264.822963 | -188.768419 | -76.031231 | 0.023313 | 61.2 kJ mol-1 | 
| Vibrational zero point energy (cm-1) | 12650 | 7251 | 4588 | -812 | -9.7 kJ mol-1 | 
| Total | 51.5 kJ mol-1 | ||||