|   | 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 | -52.8092351 | -53.2155734 | 0.4063383 | 0.0000000 | 53.2155734 | ||||||
| cm-1 | 11688.3 | 13235.4 | -1547.1 | ||||||||
| eV | -1437.012 | 1.449 | -1435.563 | -1448.069 | 1.641 | -1446.428 | 11.057 | -0.192 | 10.865 | 0.000 | 1448.069 |