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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 | -94.0921516 | -94.4702507 | 0.3780991 | 0.0000000 | 94.4702507 | ||||||
cm-1 | 7822.7 | 8381.5 | -558.9 | ||||||||
eV | -2560.378 | 0.970 | -2559.408 | -2570.666 | 1.039 | -2569.627 | 10.289 | -0.069 | 10.219 | 0.000 | 2570.666 |