![]() |
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 | -94.0402241 | -94.4009862 | 0.3607622 | 0.0000000 | 94.4009862 | ||||||
cm-1 | 7864.1 | 8466.8 | -602.7 | ||||||||
eV | -2558.965 | 0.975 | -2557.990 | -2568.781 | 1.050 | -2567.732 | 9.817 | -0.075 | 9.742 | 0.000 | 2568.781 |