![]() |
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 | -388.9526496 | -389.2247848 | 0.2721352 | 0.0000000 | 389.2247848 | ||||||
cm-1 | 493.8 | 416.1 | 77.6 | ||||||||
eV | -10583.940 | 0.061 | -10583.879 | -10591.345 | 0.052 | -10591.293 | 7.405 | 0.010 | 7.415 | 0.000 | 10591.345 |