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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 | -189.2049650 | -189.5558301 | 0.3508651 | 0.0000000 | 189.5558301 | ||||||
| cm-1 | 6520.5 | 6543.5 | -23.0 | ||||||||
| eV | -5148.529 | 0.808 | -5147.720 | -5158.076 | 0.811 | -5157.265 | 9.548 | -0.003 | 9.545 | 0.000 | 5158.076 |