![]() |
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 | -299.7086366 | -300.0047057 | 0.2960691 | 0.0000000 | 300.0047057 | ||||||
cm-1 | 371.7 | 317.4 | 54.2 | ||||||||
eV | -8155.487 | 0.046 | -8155.441 | -8163.543 | 0.039 | -8163.504 | 8.056 | 0.007 | 8.063 | 0.000 | 8163.543 |