| |
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 | -115.7278012 | -115.9518411 | 0.2240399 | 0.0000000 | 115.9518411 | ||||||
| cm-1 | 9553.0 | 8994.7 | 558.3 | ||||||||
| eV | -3149.114 | 1.184 | -3147.929 | -3155.210 | 1.115 | -3154.095 | 6.096 | 0.069 | 6.166 | 0.000 | 3155.210 |