![]() |
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 | -130.1128169 | -130.4804929 | 0.3676760 | 0.0000000 | 130.4804929 | ||||||
cm-1 | 2888.7 | 2975.2 | -86.6 | ||||||||
eV | -3540.550 | 0.358 | -3540.192 | -3550.555 | 0.369 | -3550.186 | 10.005 | -0.011 | 9.994 | 0.000 | 3550.555 |