![]() |
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 | -5147.6643290 | -5148.0510241 | 0.3866951 | 0.0000000 | 5148.0510241 | ||||||
cm-1 | 180.3 | 159.3 | 21.0 | ||||||||
eV | -140075.070 | 0.022 | -140075.048 | -140085.593 | 0.020 | -140085.573 | 10.523 | 0.003 | 10.525 | 0.000 | 140085.593 |