![]() |
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 | -279.1842699 | -279.6397395 | 0.4554696 | 0.0000000 | 279.6397395 | ||||||
cm-1 | 2771.4 | 2574.7 | 196.7 | ||||||||
eV | -7596.990 | 0.344 | -7596.647 | -7609.384 | 0.319 | -7609.065 | 12.394 | 0.024 | 12.418 | 0.000 | 7609.384 |