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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 | -77.5514942 | -77.8631969 | 0.3117027 | 0.0000000 | 77.8631969 | ||||||
| cm-1 | 7164.3 | 7697.1 | -532.8 | ||||||||
| eV | -2110.283 | 0.888 | -2109.395 | -2118.765 | 0.954 | -2117.811 | 8.482 | -0.066 | 8.416 | 0.000 | 2118.765 |