![]() |
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 | -323.5402641 | -323.7128623 | 0.1725981 | 0.0000000 | 323.7128623 | ||||||
cm-1 | 61.3 | 80.0 | -18.7 | ||||||||
eV | -8803.978 | 0.008 | -8803.971 | -8808.675 | 0.010 | -8808.665 | 4.697 | -0.002 | 4.694 | 0.000 | 8808.675 |