| |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -152.9495074 | -153.3194206 | 0.3699132 | 0.0000000 | 153.3194206 | ||||||
| cm-1 | 11744.5 | 12174.6 | -430.1 | ||||||||
| eV | -4161.968 | 1.456 | -4160.512 | -4172.034 | 1.509 | -4170.524 | 10.066 | -0.053 | 10.013 | 0.000 | 4172.034 |