![]() |
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 | -94.2368345 | -94.5948300 | 0.3579955 | 0.0000000 | 94.5948300 | ||||||
cm-1 | 7675.7 | 8433.7 | -758.0 | ||||||||
eV | -2564.315 | 0.952 | -2563.363 | -2574.056 | 1.046 | -2573.011 | 9.742 | -0.094 | 9.648 | 0.000 | 2574.056 |