![]() |
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 | -130.0521679 | -130.4245781 | 0.3724103 | 0.0000000 | 130.4245781 | ||||||
cm-1 | 2935.0 | 2986.2 | -51.3 | ||||||||
eV | -3538.899 | 0.364 | -3538.536 | -3549.033 | 0.370 | -3548.663 | 10.134 | -0.006 | 10.127 | 0.000 | 3549.033 |