|   | 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 | -52.7631530 | -53.1853102 | 0.4221572 | 0.0000000 | 53.1853102 | ||||||
| cm-1 | 11802.5 | 13508.8 | -1706.3 | ||||||||
| eV | -1435.758 | 1.463 | -1434.295 | -1447.246 | 1.675 | -1445.571 | 11.487 | -0.212 | 11.276 | 0.000 | 1447.246 |