| |
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 | -388.3296597 | -388.5830184 | 0.2533587 | 0.0000000 | 388.5830184 | ||||||
| cm-1 | 506.4 | 422.8 | 83.6 | ||||||||
| eV | -10566.987 | 0.063 | -10566.925 | -10573.882 | 0.052 | -10573.829 | 6.894 | 0.010 | 6.905 | 0.000 | 10573.882 |