![]() |
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 | -129.4472901 | -129.7891058 | 0.3418158 | 0.0000000 | 129.7891058 | ||||||
cm-1 | 2814.8 | 3164.5 | -349.7 | ||||||||
eV | -3522.440 | 0.349 | -3522.091 | -3531.741 | 0.392 | -3531.349 | 9.301 | -0.043 | 9.258 | 0.000 | 3531.741 |