![]() |
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 | -94.2696470 | -94.6307129 | 0.3610659 | 0.0000000 | 94.6307129 | ||||||
cm-1 | 7651.9 | 8439.4 | -787.5 | ||||||||
eV | -2565.208 | 0.949 | -2564.259 | -2575.033 | 1.046 | -2573.986 | 9.825 | -0.098 | 9.727 | 0.000 | 2575.033 |