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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 | -16.0525119 | -16.3439176 | 0.2914057 | 0.0000000 | 16.3439176 | ||||||
| cm-1 | 5565.2 | 5800.7 | -235.5 | ||||||||
| eV | -436.811 | 0.690 | -436.121 | -444.741 | 0.719 | -444.021 | 7.930 | -0.029 | 7.900 | 0.000 | 444.741 |