| |
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 | -1044.4464976 | -1044.7318099 | 0.2853123 | 0.0000000 | 1044.7318099 | ||||||
| cm-1 | 858.6 | 779.5 | 79.1 | ||||||||
| eV | -28420.835 | 0.106 | -28420.728 | -28428.598 | 0.097 | -28428.502 | 7.764 | 0.010 | 7.774 | 0.000 | 28428.598 |