![]() |
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 | -130.0761991 | -130.4378096 | 0.3616104 | 0.0000000 | 130.4378096 | ||||||
cm-1 | 2897.2 | 2953.6 | -56.5 | ||||||||
eV | -3539.553 | 0.359 | -3539.194 | -3549.393 | 0.366 | -3549.027 | 9.840 | -0.007 | 9.833 | 0.000 | 3549.393 |