![]() |
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 | -75.5043330 | -75.9070218 | 0.4026888 | 0.0000000 | 75.9070218 | ||||||
cm-1 | 647.7 | 911.2 | -263.5 | ||||||||
eV | -2054.577 | 0.080 | -2054.497 | -2065.535 | 0.113 | -2065.422 | 10.958 | -0.033 | 10.925 | 0.000 | 2065.535 |