![]() |
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 | -137.9385949 | -138.2749943 | 0.3363994 | 0.0000000 | 138.2749943 | ||||||
cm-1 | 5676.4 | 5158.3 | 518.1 | ||||||||
eV | -3753.500 | 0.704 | -3752.796 | -3762.654 | 0.640 | -3762.014 | 9.154 | 0.064 | 9.218 | 0.000 | 3762.654 |