| |
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 | -113.9231274 | -114.3352279 | 0.4121005 | 0.0000000 | 114.3352279 | ||||||
| cm-1 | 5176.4 | 5648.9 | -472.5 | ||||||||
| eV | -3100.006 | 0.642 | -3099.364 | -3111.220 | 0.700 | -3110.519 | 11.214 | -0.059 | 11.155 | 0.000 | 3111.220 |