![]() |
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 | -94.2201619 | -94.5867943 | 0.3666324 | 0.0000000 | 94.5867943 | ||||||
cm-1 | 7671.0 | 8445.9 | -774.9 | ||||||||
eV | -2563.861 | 0.951 | -2562.910 | -2573.838 | 1.047 | -2572.790 | 9.977 | -0.096 | 9.881 | 0.000 | 2573.838 |