![]() |
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 | -2538.9927496 | -2539.3905884 | 0.3978389 | 0.0000000 | 2539.3905884 | ||||||
cm-1 | 1249.0 | 1076.4 | 172.6 | ||||||||
eV | -69089.506 | 0.155 | -69089.351 | -69100.332 | 0.133 | -69100.199 | 10.826 | 0.021 | 10.847 | 0.000 | 69100.332 |