![]() |
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 | -5144.7021623 | -5145.0912032 | 0.3890409 | 0.0000000 | 5145.0912032 | ||||||
cm-1 | 182.1 | 157.6 | 24.5 | ||||||||
eV | -139994.465 | 0.023 | -139994.443 | -140005.052 | 0.020 | -140005.032 | 10.586 | 0.003 | 10.589 | 0.000 | 140005.052 |