![]() |
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 | -20.7256439 | -21.0472683 | 0.3216244 | 0.0000000 | 21.0472683 | ||||||
cm-1 | 3640.6 | 3577.6 | 62.9 | ||||||||
eV | -563.973 | 0.451 | -563.522 | -572.725 | 0.444 | -572.282 | 8.752 | 0.008 | 8.760 | 0.000 | 572.725 |