![]() |
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 | -130.1371384 | -130.5089093 | 0.3717709 | 0.0000000 | 130.5089093 | ||||||
cm-1 | 2880.7 | 2938.6 | -57.9 | ||||||||
eV | -3541.212 | 0.357 | -3540.854 | -3551.328 | 0.364 | -3550.964 | 10.116 | -0.007 | 10.109 | 0.000 | 3551.328 |