![]() |
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 | -75.3215807 | -75.7373457 | 0.4157650 | 0.0000000 | 75.7373457 | ||||||
cm-1 | 659.0 | 914.5 | -255.5 | ||||||||
eV | -2049.604 | 0.082 | -2049.523 | -2060.918 | 0.113 | -2060.805 | 11.314 | -0.032 | 11.282 | 0.000 | 2060.918 |