![]() |
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 | -138.6644189 | -138.9918572 | 0.3274384 | 0.0000000 | 138.9918572 | ||||||
cm-1 | 5782.2 | 5282.9 | 499.3 | ||||||||
eV | -3773.251 | 0.717 | -3772.534 | -3782.161 | 0.655 | -3781.506 | 8.910 | 0.062 | 8.972 | 0.000 | 3782.161 |