![]() |
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 | -94.0025308 | -94.3578399 | 0.3553090 | 0.0000000 | 94.3578399 | ||||||
cm-1 | 8258.2 | 8968.7 | -710.5 | ||||||||
eV | -2557.939 | 1.024 | -2556.915 | -2567.607 | 1.112 | -2566.495 | 9.668 | -0.088 | 9.580 | 0.000 | 2567.607 |