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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 | -130.0224945 | -130.3920097 | 0.3695152 | 0.0000000 | 130.3920097 | ||||||
cm-1 | 2865.1 | 2920.1 | -55.1 | ||||||||
eV | -3538.092 | 0.355 | -3537.737 | -3548.147 | 0.362 | -3547.785 | 10.055 | -0.007 | 10.048 | 0.000 | 3548.147 |