![]() |
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 | -831.1778239 | -831.5635630 | 0.3857392 | 0.0000000 | 831.5635630 | ||||||
cm-1 | 183.9 | 162.4 | 21.4 | ||||||||
eV | -22617.499 | 0.023 | -22617.476 | -22627.995 | 0.020 | -22627.975 | 10.496 | 0.003 | 10.499 | 0.000 | 22627.995 |