![]() |
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 | -151.1789700 | -151.5606213 | 0.3816513 | 0.0000000 | 151.5606213 | ||||||
cm-1 | 5820.4 | 5674.0 | 146.4 | ||||||||
eV | -4113.789 | 0.722 | -4113.067 | -4124.174 | 0.703 | -4123.471 | 10.385 | 0.018 | 10.403 | 0.000 | 4124.174 |