![]() |
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 | -670.8986940 | -671.0724247 | 0.1737307 | 0.0000000 | 671.0724247 | ||||||
cm-1 | 703.1 | 665.3 | 37.8 | ||||||||
eV | -18256.082 | 0.087 | -18255.995 | -18260.809 | 0.082 | -18260.727 | 4.727 | 0.005 | 4.732 | 0.000 | 18260.809 |