![]() |
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 | -2436.9806602 | -2437.3782523 | 0.3975922 | -2436.9787216 | 0.3995308 | ||||||
cm-1 | 554.3 | 515.4 | 38.9 | ||||||||
eV | -66313.616 | 0.069 | -66313.547 | -66324.435 | 0.064 | -66324.371 | 10.819 | 0.005 | 10.824 | -66313.563 | 10.872 |