![]() |
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 | -130.0348179 | -130.3976520 | 0.3628342 | 0.0000000 | 130.3976520 | ||||||
cm-1 | 3039.9 | 3073.4 | -33.5 | ||||||||
eV | -3538.427 | 0.377 | -3538.050 | -3548.301 | 0.381 | -3547.920 | 9.873 | -0.004 | 9.869 | 0.000 | 3548.301 |