![]() |
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 | -892.3311083 | -892.6673026 | 0.3361942 | 0.0000000 | 892.6673026 | ||||||
cm-1 | 3548.1 | 2977.7 | 570.4 | ||||||||
eV | -24281.564 | 0.440 | -24281.124 | -24290.713 | 0.369 | -24290.343 | 9.148 | 0.071 | 9.219 | 0.000 | 24290.713 |