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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 | -475.1212896 | -475.4716680 | 0.3503784 | 0.0000000 | 475.4716680 | ||||||
| cm-1 | 4691.2 | 4460.2 | 231.1 | ||||||||
| eV | -12928.708 | 0.582 | -12928.126 | -12938.242 | 0.553 | -12937.689 | 9.534 | 0.029 | 9.563 | 0.000 | 12938.242 |