![]() |
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 | -299.4472574 | -299.7364838 | 0.2892265 | 0.0000000 | 299.7364838 | ||||||
cm-1 | 400.1 | 355.2 | 44.9 | ||||||||
eV | -8148.374 | 0.050 | -8148.325 | -8156.245 | 0.044 | -8156.200 | 7.870 | 0.006 | 7.876 | 0.000 | 8156.245 |