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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 | -101.2848093 | -101.6563119 | 0.3715026 | 0.0000000 | 101.6563119 | ||||||
| cm-1 | 383.3 | 270.3 | 113.0 | ||||||||
| eV | -2756.100 | 0.048 | -2756.052 | -2766.209 | 0.034 | -2766.175 | 10.109 | 0.014 | 10.123 | 0.000 | 2766.209 |