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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| 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 | -432.4202182 | -432.8537977 | 0.4335795 | 0.0000000 | 432.8537977 | ||||||
| cm-1 | 690.3 | 617.6 | 72.7 | ||||||||
| eV | -11766.753 | 0.086 | -11766.667 | -11778.551 | 0.077 | -11778.474 | 11.798 | 0.009 | 11.807 | 0.000 | 11778.551 |