![]() |
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 | -130.0081002 | -130.3724363 | 0.3643361 | 0.0000000 | 130.3724363 | ||||||
cm-1 | 2873.0 | 2850.0 | 22.9 | ||||||||
eV | -3537.700 | 0.356 | -3537.344 | -3547.614 | 0.353 | -3547.261 | 9.914 | 0.003 | 9.917 | 0.000 | 3547.614 |