![]() |
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 | -75.5323492 | -75.9512483 | 0.4188992 | 0.0000000 | 75.9512483 | ||||||
cm-1 | 3598.8 | 4116.5 | -517.7 | ||||||||
eV | -2055.340 | 0.446 | -2054.894 | -2066.739 | 0.510 | -2066.228 | 11.399 | -0.064 | 11.335 | 0.000 | 2066.739 |