![]() |
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 | -170.2894632 | -170.6766885 | 0.3872253 | 0.0000000 | 170.6766885 | ||||||
cm-1 | 10297.3 | 10717.1 | -419.8 | ||||||||
eV | -4633.812 | 1.277 | -4632.535 | -4644.349 | 1.329 | -4643.020 | 10.537 | -0.052 | 10.485 | 0.000 | 4644.349 |