![]() |
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 | -299.0182872 | -299.3032850 | 0.2849979 | 0.0000000 | 299.3032850 | ||||||
cm-1 | 373.6 | 320.5 | 53.1 | ||||||||
eV | -8136.701 | 0.046 | -8136.655 | -8144.457 | 0.040 | -8144.417 | 7.755 | 0.007 | 7.762 | 0.000 | 8144.457 |