![]() |
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 | -5144.7032746 | -5145.0892874 | 0.3860128 | 0.0000000 | 5145.0892874 | ||||||
cm-1 | 165.7 | 149.5 | 16.3 | ||||||||
eV | -139994.496 | 0.021 | -139994.475 | -140005.000 | 0.019 | -140004.981 | 10.504 | 0.002 | 10.506 | 0.000 | 140005.000 |