![]() |
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 | -324.4086785 | -324.5950394 | 0.1863609 | 0.0000000 | 324.5950394 | ||||||
cm-1 | 50.0 | 76.6 | -26.6 | ||||||||
eV | -8827.609 | 0.006 | -8827.603 | -8832.680 | 0.009 | -8832.671 | 5.071 | -0.003 | 5.068 | 0.000 | 8832.680 |