![]() |
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 | -535.6065392 | -536.0074470 | 0.4009078 | 0.0000000 | 536.0074470 | ||||||
cm-1 | 2886.4 | 2954.1 | -67.7 | ||||||||
eV | -14574.595 | 0.358 | -14574.237 | -14585.504 | 0.366 | -14585.138 | 10.909 | -0.008 | 10.901 | 0.000 | 14585.504 |