| |
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 | -107.0238277 | -107.4286798 | 0.4048521 | 0.0000000 | 107.4286798 | ||||||
| cm-1 | 133.0 | 446.3 | -313.3 | ||||||||
| eV | -2912.266 | 0.016 | -2912.250 | -2923.283 | 0.055 | -2923.228 | 11.017 | -0.039 | 10.978 | 0.000 | 2923.283 |