![]() |
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 | -15.4709164 | -15.8946983 | 0.4237818 | 0.0000000 | 15.8946983 | ||||||
cm-1 | 1771.4 | 2762.0 | -990.6 | ||||||||
eV | -420.985 | 0.220 | -420.765 | -432.517 | 0.342 | -432.174 | 11.532 | -0.123 | 11.409 | 0.000 | 432.517 |