![]() |
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 | -957.5750906 | -957.8720783 | 0.2969877 | 0.0000000 | 957.8720783 | ||||||
cm-1 | 3730.6 | 3400.0 | 330.7 | ||||||||
eV | -26056.943 | 0.463 | -26056.481 | -26065.025 | 0.422 | -26064.603 | 8.081 | 0.041 | 8.122 | 0.000 | 26065.025 |