![]() |
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 | -958.6669524 | -958.9861400 | 0.3191876 | 0.0000000 | 958.9861400 | ||||||
cm-1 | 3659.2 | 3275.1 | 384.1 | ||||||||
eV | -26086.654 | 0.454 | -26086.201 | -26095.340 | 0.406 | -26094.934 | 8.686 | 0.048 | 8.733 | 0.000 | 26095.340 |