| |
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 | -153.3193257 | -153.5671448 | 0.2478191 | 0.0000000 | 153.5671448 | ||||||
| cm-1 | 14326.4 | 13810.6 | 515.8 | ||||||||
| eV | -4172.031 | 1.776 | -4170.255 | -4178.775 | 1.712 | -4177.062 | 6.744 | 0.064 | 6.807 | 0.000 | 4178.775 |