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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 | -75.1275265 | -75.5892577 | 0.4617313 | 0.0000000 | 75.5892577 | ||||||
| cm-1 | 1506.8 | 1804.1 | -297.3 | ||||||||
| eV | -2044.324 | 0.187 | -2044.137 | -2056.888 | 0.224 | -2056.665 | 12.564 | -0.037 | 12.527 | 0.000 | 2056.888 |