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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 | -114.3094928 | -114.6144075 | 0.3049147 | -114.3075365 | 0.3068710 | ||||||
cm-1 | 9232.1 | 8580.3 | 651.8 | ||||||||
eV | -3110.519 | 1.145 | -3109.375 | -3118.817 | 1.064 | -3117.753 | 8.297 | 0.081 | 8.378 | -3110.466 | 8.350 |