![]() |
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 | -108.7240339 | -109.2764817 | 0.5524479 | 0.0000000 | 109.2764817 | ||||||
cm-1 | 1068.8 | 1144.6 | -75.8 | ||||||||
eV | -2958.531 | 0.133 | -2958.399 | -2973.564 | 0.142 | -2973.422 | 15.033 | -0.009 | 15.023 | 0.000 | 2973.564 |