![]() |
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 | -130.1022461 | -130.4737423 | 0.3714962 | 0.0000000 | 130.4737423 | ||||||
cm-1 | 2991.2 | 3063.1 | -71.9 | ||||||||
eV | -3540.262 | 0.371 | -3539.891 | -3550.371 | 0.380 | -3549.991 | 10.109 | -0.009 | 10.100 | 0.000 | 3550.371 |