![]() |
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 | -342.1573661 | -342.5204151 | 0.3630490 | 0.0000000 | 342.5204151 | ||||||
cm-1 | 2869.4 | 2827.3 | 42.1 | ||||||||
eV | -9310.575 | 0.356 | -9310.220 | -9320.454 | 0.351 | -9320.104 | 9.879 | 0.005 | 9.884 | 0.000 | 9320.454 |