![]() |
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 | -235.9791202 | -236.2917684 | 0.3126482 | 0.0000000 | 236.2917684 | ||||||
cm-1 | 4460.2 | 4078.8 | 381.4 | ||||||||
eV | -6421.318 | 0.553 | -6420.765 | -6429.826 | 0.506 | -6429.320 | 8.508 | 0.047 | 8.555 | 0.000 | 6429.826 |