![]() |
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 | -163.5447036 | -163.9497260 | 0.4050224 | 0.0000000 | 163.9497260 | ||||||
cm-1 | 1460.0 | 2050.7 | -590.7 | ||||||||
eV | -4450.278 | 0.181 | -4450.097 | -4461.299 | 0.254 | -4461.045 | 11.021 | -0.073 | 10.948 | 0.000 | 4461.299 |