| |
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 | -7.7608846 | -8.0444465 | 0.2835619 | 0.0000000 | 8.0444465 | ||||||
| cm-1 | 198.0 | 676.5 | -478.4 | ||||||||
| eV | -211.184 | 0.025 | -211.160 | -218.901 | 0.084 | -218.817 | 7.716 | -0.059 | 7.657 | 0.000 | 218.901 |