![]() |
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 | -130.1011163 | -130.4799913 | 0.3788750 | 0.0000000 | 130.4799913 | ||||||
cm-1 | 2879.0 | 2950.7 | -71.7 | ||||||||
eV | -3540.231 | 0.357 | -3539.874 | -3550.541 | 0.366 | -3550.175 | 10.310 | -0.009 | 10.301 | 0.000 | 3550.541 |