![]() |
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 | -54.7179089 | -55.2146840 | 0.4967752 | 0.0000000 | 55.2146840 | ||||||
cm-1 | 1464.2 | 1580.0 | -115.8 | ||||||||
eV | -1488.950 | 0.182 | -1488.768 | -1502.468 | 0.196 | -1502.272 | 13.518 | -0.014 | 13.504 | 0.000 | 1502.468 |