![]() |
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 | -129.7903387 | -130.1479845 | 0.3576458 | 0.0000000 | 130.1479845 | ||||||
cm-1 | 4221.5 | 2877.0 | 1344.5 | ||||||||
eV | -3531.775 | 0.523 | -3531.251 | -3541.507 | 0.357 | -3541.150 | 9.732 | 0.167 | 9.899 | 0.000 | 3541.507 |