![]() |
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 | -299.5499105 | -299.8477154 | 0.2978049 | 0.0000000 | 299.8477154 | ||||||
cm-1 | 368.7 | 333.0 | 35.7 | ||||||||
eV | -8151.168 | 0.046 | -8151.122 | -8159.271 | 0.041 | -8159.230 | 8.104 | 0.004 | 8.108 | 0.000 | 8159.271 |