![]() |
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 | -243.3208166 | -243.6910367 | 0.3702201 | 0.0000000 | 243.6910367 | ||||||
cm-1 | 2794.7 | 3858.2 | -1063.5 | ||||||||
eV | -6621.096 | 0.347 | -6620.750 | -6631.170 | 0.478 | -6630.692 | 10.074 | -0.132 | 9.942 | 0.000 | 6631.170 |