![]() |
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 | -93.6016856 | -93.9152232 | 0.3135376 | 0.0000000 | 93.9152232 | ||||||
cm-1 | 5381.8 | 5595.5 | -213.7 | ||||||||
eV | -2547.031 | 0.667 | -2546.364 | -2555.563 | 0.694 | -2554.869 | 8.532 | -0.026 | 8.505 | 0.000 | 2555.563 |