| |
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 | -187.5542604 | -187.8402436 | 0.2859832 | 0.0000000 | 187.8402436 | ||||||
| cm-1 | 4115.5 | 3984.7 | 130.8 | ||||||||
| eV | -5103.611 | 0.510 | -5103.101 | -5111.393 | 0.494 | -5110.899 | 7.782 | 0.016 | 7.798 | 0.000 | 5111.393 |