![]() |
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 | -748.1510918 | -748.4240541 | 0.2729623 | 0.0000000 | 748.4240541 | ||||||
cm-1 | 260.1 | 206.9 | 53.1 | ||||||||
eV | -20358.227 | 0.032 | -20358.194 | -20365.654 | 0.026 | -20365.629 | 7.428 | 0.007 | 7.434 | 0.000 | 20365.654 |