![]() |
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 | -113.4617702 | -113.7557092 | 0.2939390 | 0.0000000 | 113.7557092 | ||||||
cm-1 | 2783.3 | 2844.9 | -61.6 | ||||||||
eV | -3087.452 | 0.345 | -3087.107 | -3095.450 | 0.353 | -3095.098 | 7.998 | -0.008 | 7.991 | 0.000 | 3095.450 |