![]() |
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 | -169.4339481 | -169.7788861 | 0.3449380 | 0.0000000 | 169.7788861 | ||||||
cm-1 | 10289.0 | 10834.4 | -545.3 | ||||||||
eV | -4610.532 | 1.276 | -4609.257 | -4619.918 | 1.343 | -4618.575 | 9.386 | -0.068 | 9.319 | 0.000 | 4619.918 |