![]() |
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 | -129.8828006 | -130.2509956 | 0.3681950 | 0.0000000 | 130.2509956 | ||||||
cm-1 | 3736.5 | 3267.3 | 469.2 | ||||||||
eV | -3534.291 | 0.463 | -3533.827 | -3544.310 | 0.405 | -3543.905 | 10.019 | 0.058 | 10.077 | 0.000 | 3544.310 |