|   | 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 | -52.8722642 | -53.2856229 | 0.4133586 | 0.0000000 | 53.2856229 | ||||||
| cm-1 | 11705.1 | 13223.2 | -1518.1 | ||||||||
| eV | -1438.727 | 1.451 | -1437.276 | -1449.976 | 1.639 | -1448.336 | 11.248 | -0.188 | 11.060 | 0.000 | 1449.976 |