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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 | -78.4546150 | -78.7506215 | 0.2960065 | 0.0000000 | 78.7506215 | ||||||
| cm-1 | 12570.1 | 12500.1 | 70.0 | ||||||||
| eV | -2134.859 | 1.558 | -2133.300 | -2142.913 | 1.550 | -2141.364 | 8.055 | 0.009 | 8.063 | 0.000 | 2142.913 |