![]() |
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 | -749.3393591 | -749.6306690 | 0.2913099 | 0.0000000 | 749.6306690 | ||||||
cm-1 | 257.7 | 209.7 | 48.0 | ||||||||
eV | -20390.561 | 0.032 | -20390.529 | -20398.488 | 0.026 | -20398.462 | 7.927 | 0.006 | 7.933 | 0.000 | 20398.488 |