![]() |
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 | -94.1656882 | -94.5271089 | 0.3614207 | 0.0000000 | 94.5271089 | ||||||
cm-1 | 7653.2 | 8450.6 | -797.3 | ||||||||
eV | -2562.379 | 0.949 | -2561.430 | -2572.213 | 1.048 | -2571.166 | 9.835 | -0.099 | 9.736 | 0.000 | 2572.213 |