![]() |
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 | -957.5707402 | -957.8734222 | 0.3026820 | 0.0000000 | 957.8734222 | ||||||
cm-1 | 3868.9 | 3497.0 | 371.9 | ||||||||
eV | -26056.825 | 0.480 | -26056.345 | -26065.061 | 0.434 | -26064.628 | 8.236 | 0.046 | 8.283 | 0.000 | 26065.061 |