![]() |
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 | -94.2408303 | -94.5971359 | 0.3563056 | 0.0000000 | 94.5971359 | ||||||
cm-1 | 7690.9 | 8427.7 | -736.8 | ||||||||
eV | -2564.423 | 0.954 | -2563.470 | -2574.119 | 1.045 | -2573.074 | 9.696 | -0.091 | 9.604 | 0.000 | 2574.119 |