![]() |
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 | -342.2414557 | -342.5819759 | 0.3405203 | 0.0000000 | 342.5819759 | ||||||
cm-1 | 5070.5 | 5082.8 | -12.3 | ||||||||
eV | -9312.864 | 0.629 | -9312.235 | -9322.130 | 0.630 | -9321.499 | 9.266 | -0.002 | 9.264 | 0.000 | 9322.130 |