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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 | -94.1113529 | -94.4550113 | 0.3436584 | 0.0000000 | 94.4550113 | ||||||
cm-1 | 8160.2 | 8831.0 | -670.7 | ||||||||
eV | -2560.900 | 1.012 | -2559.888 | -2570.252 | 1.095 | -2569.157 | 9.351 | -0.083 | 9.268 | 0.000 | 2570.252 |