![]() |
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 | -75.3175215 | -75.7547544 | 0.4372329 | 0.0000000 | 75.7547544 | ||||||
cm-1 | 667.9 | 889.9 | -221.9 | ||||||||
eV | -2049.494 | 0.083 | -2049.411 | -2061.392 | 0.110 | -2061.281 | 11.898 | -0.028 | 11.870 | 0.000 | 2061.392 |