![]() |
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 | -129.9641222 | -130.3368734 | 0.3727512 | 0.0000000 | 130.3368734 | ||||||
cm-1 | 2918.4 | 2992.3 | -73.9 | ||||||||
eV | -3536.504 | 0.362 | -3536.142 | -3546.647 | 0.371 | -3546.276 | 10.143 | -0.009 | 10.134 | 0.000 | 3546.647 |