| |
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 | -630.4016011 | -630.7360963 | 0.3344951 | 0.0000000 | 630.7360963 | ||||||
| cm-1 | 283.6 | 342.6 | -58.9 | ||||||||
| eV | -17154.100 | 0.035 | -17154.065 | -17163.202 | 0.042 | -17163.160 | 9.102 | -0.007 | 9.095 | 0.000 | 17163.202 |