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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 | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -94.0993434 | -94.4630578 | 0.3637145 | 0.0000000 | 94.4630578 | ||||||
cm-1 | 7703.5 | 8443.5 | -740.1 | ||||||||
eV | -2560.573 | 0.955 | -2559.618 | -2570.471 | 1.047 | -2569.424 | 9.897 | -0.092 | 9.805 | 0.000 | 2570.471 |