![]() |
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 | -99.8634804 | -100.4265321 | 0.5630517 | 0.0000000 | 100.4265321 | ||||||
cm-1 | 1460.8 | 1973.7 | -512.9 | ||||||||
eV | -2717.423 | 0.181 | -2717.242 | -2732.745 | 0.245 | -2732.500 | 15.321 | -0.064 | 15.258 | 0.000 | 2732.745 |