![]() |
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 | -487.9236406 | -488.2936966 | 0.3700560 | 0.0000000 | 488.2936966 | ||||||
cm-1 | 1555.1 | 1454.3 | 100.9 | ||||||||
eV | -13277.077 | 0.193 | -13276.885 | -13287.147 | 0.180 | -13286.967 | 10.070 | 0.013 | 10.082 | 0.000 | 13287.147 |