![]() |
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 | -93.9776869 | -94.3298806 | 0.3521937 | 0.0000000 | 94.3298806 | ||||||
cm-1 | 7856.9 | 8424.6 | -567.7 | ||||||||
eV | -2557.263 | 0.974 | -2556.289 | -2566.847 | 1.045 | -2565.802 | 9.584 | -0.070 | 9.513 | 0.000 | 2566.847 |