![]() |
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 | -129.4568486 | -129.8431460 | 0.3862974 | 0.0000000 | 129.8431460 | ||||||
cm-1 | 2866.6 | 2875.6 | -9.0 | ||||||||
eV | -3522.700 | 0.355 | -3522.345 | -3533.212 | 0.357 | -3532.855 | 10.512 | -0.001 | 10.511 | 0.000 | 3533.212 |