![]() |
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 | -94.0714132 | -94.4276241 | 0.3562108 | 0.0000000 | 94.4276241 | ||||||
cm-1 | 8312.8 | 9056.3 | -743.5 | ||||||||
eV | -2559.813 | 1.031 | -2558.783 | -2569.506 | 1.123 | -2568.383 | 9.693 | -0.092 | 9.601 | 0.000 | 2569.506 |