![]() |
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 | -317.2779914 | -317.6448482 | 0.3668568 | 0.0000000 | 317.6448482 | ||||||
cm-1 | 484.4 | 463.6 | 20.8 | ||||||||
eV | -8633.573 | 0.060 | -8633.513 | -8643.556 | 0.057 | -8643.498 | 9.983 | 0.003 | 9.985 | 0.000 | 8643.556 |