![]() |
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 | -75.3915870 | -75.8016528 | 0.4100658 | 0.0000000 | 75.8016528 | ||||||
cm-1 | 639.1 | 919.4 | -280.3 | ||||||||
eV | -2051.509 | 0.079 | -2051.430 | -2062.668 | 0.114 | -2062.554 | 11.158 | -0.035 | 11.124 | 0.000 | 2062.668 |