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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 | -56.0069420 | -56.3573777 | 0.3504357 | 0.0000000 | 56.3573777 | ||||||
cm-1 | 6933.5 | 7301.3 | -367.9 | ||||||||
eV | -1524.026 | 0.860 | -1523.167 | -1533.562 | 0.905 | -1532.657 | 9.536 | -0.046 | 9.490 | 0.000 | 1533.562 |