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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 | -12.3166786 | -12.6249688 | 0.3082902 | 0.0000000 | 12.6249688 | ||||||
| cm-1 | 7500.4 | 7535.4 | -35.0 | ||||||||
| eV | -335.154 | 0.930 | -334.224 | -343.543 | 0.934 | -342.609 | 8.389 | -0.004 | 8.385 | 0.000 | 343.543 |