![]() |
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 | -833.2639736 | -833.6356984 | 0.3717248 | 0.0000000 | 833.6356984 | ||||||
cm-1 | 167.0 | 147.5 | 19.4 | ||||||||
eV | -22674.266 | 0.021 | -22674.245 | -22684.381 | 0.018 | -22684.363 | 10.115 | 0.002 | 10.118 | 0.000 | 22684.381 |