| |
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 | -115.2148510 | -115.5992186 | 0.3843676 | 0.0000000 | 115.5992186 | ||||||
| cm-1 | 9929.0 | 10850.2 | -921.2 | ||||||||
| eV | -3135.156 | 1.231 | -3133.925 | -3145.615 | 1.345 | -3144.269 | 10.459 | -0.114 | 10.345 | 0.000 | 3145.615 |