![]() |
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 | -26.3298513 | -26.7354508 | 0.4055995 | 0.0000000 | 26.7354508 | ||||||
cm-1 | 172.2 | 156.0 | 16.3 | ||||||||
eV | -716.472 | 0.021 | -716.450 | -727.509 | 0.019 | -727.489 | 11.037 | 0.002 | 11.039 | 0.000 | 727.509 |