![]() |
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 | -137.9236830 | -138.2593317 | 0.3356487 | 0.0000000 | 138.2593317 | ||||||
cm-1 | 5664.9 | 5145.2 | 519.7 | ||||||||
eV | -3753.094 | 0.702 | -3752.392 | -3762.228 | 0.638 | -3761.590 | 9.133 | 0.064 | 9.198 | 0.000 | 3762.228 |