![]() |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
You are here: Calculated > Energy > Optimized > Hydrogen bonds |
Dimer | H Donor | H Acceptor | comment | |||
---|---|---|---|---|---|---|
NH3NH3 | Ammonia Dimer | NH3 | Ammonia | NH3 | Ammonia |
Energy components
Dimer | Donor | Acceptor | difference | ||
---|---|---|---|---|---|
Energy (hartrees) | -113.015029 | -56.504685 | -56.504685 | 0.005659 | 14.9 kJ mol-1 |
Vibrational zero point energy (cm-1) | 15123 | 7325 | 7325 | -472 | -5.6 kJ mol-1 |
Total | 9.2 kJ mol-1 |