| |
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 | -92.1471727 | -92.6987756 | 0.5516029 | 0.0000000 | 92.6987756 | ||||||
| cm-1 | 1013.0 | 1045.4 | -32.3 | ||||||||
| eV | -2507.452 | 0.126 | -2507.326 | -2522.462 | 0.130 | -2522.332 | 15.010 | -0.004 | 15.006 | 0.000 | 2522.462 |