![]() |
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 | -75.5067742 | -75.8981178 | 0.3913436 | 0.0000000 | 75.8981178 | ||||||
cm-1 | 649.3 | 905.6 | -256.2 | ||||||||
eV | -2054.644 | 0.081 | -2054.563 | -2065.293 | 0.112 | -2065.181 | 10.649 | -0.032 | 10.617 | 0.000 | 2065.293 |