| |
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 | -77.3317602 | -77.6301242 | 0.2983640 | 0.0000000 | 77.6301242 | ||||||
| cm-1 | 7224.0 | 7963.6 | -739.5 | ||||||||
| eV | -2104.304 | 0.896 | -2103.409 | -2112.423 | 0.987 | -2111.436 | 8.119 | -0.092 | 8.027 | 0.000 | 2112.423 |