![]() |
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 | -94.2545896 | -94.6169216 | 0.3623320 | 0.0000000 | 94.6169216 | ||||||
cm-1 | 7984.3 | 8801.6 | -817.3 | ||||||||
eV | -2564.798 | 0.990 | -2563.808 | -2574.657 | 1.091 | -2573.566 | 9.860 | -0.101 | 9.758 | 0.000 | 2574.657 |