![]() |
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 | -138.4818302 | -138.7989022 | 0.3170721 | 0.0000000 | 138.7989022 | ||||||
cm-1 | 5767.2 | 5298.8 | 468.4 | ||||||||
eV | -3768.282 | 0.715 | -3767.567 | -3776.910 | 0.657 | -3776.253 | 8.628 | 0.058 | 8.686 | 0.000 | 3776.910 |