| |
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 | -101.6082465 | -101.9973701 | 0.3891237 | 0.0000000 | 101.9973701 | ||||||
| cm-1 | 285.4 | 271.3 | 14.1 | ||||||||
| eV | -2764.901 | 0.035 | -2764.866 | -2775.490 | 0.034 | -2775.456 | 10.589 | 0.002 | 10.590 | 0.000 | 2775.490 |