![]() |
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 | -298.5373194 | -298.8460698 | 0.3087504 | 0.0000000 | 298.8460698 | ||||||
cm-1 | 407.7 | 355.6 | 52.1 | ||||||||
eV | -8123.614 | 0.051 | -8123.563 | -8132.015 | 0.044 | -8131.971 | 8.402 | 0.006 | 8.408 | 0.000 | 8132.015 |