![]() |
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 | -62.2296485 | -62.6428069 | 0.4131583 | 0.0000000 | 62.6428069 | ||||||
cm-1 | 513.5 | 583.6 | -70.0 | ||||||||
eV | -1693.355 | 0.064 | -1693.291 | -1704.597 | 0.072 | -1704.525 | 11.243 | -0.009 | 11.234 | 0.000 | 1704.597 |