![]() |
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 | -2050.5732718 | -2050.7991595 | 0.2258877 | 0.0000000 | 2050.7991595 | ||||||
cm-1 | 929.4 | 913.2 | 16.2 | ||||||||
eV | -55798.936 | 0.115 | -55798.821 | -55805.083 | 0.113 | -55804.970 | 6.147 | 0.002 | 6.149 | 0.000 | 55805.083 |