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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 | -94.1106465 | -94.4542997 | 0.3436533 | 0.0000000 | 94.4542997 | ||||||
cm-1 | 8160.4 | 8830.7 | -670.4 | ||||||||
eV | -2560.881 | 1.012 | -2559.869 | -2570.232 | 1.095 | -2569.137 | 9.351 | -0.083 | 9.268 | 0.000 | 2570.232 |