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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 | -308.0024668 | -308.3346184 | 0.3321516 | 0.0000000 | 308.3346184 | ||||||
cm-1 | 2441.0 | 2670.5 | -229.5 | ||||||||
eV | -8381.173 | 0.303 | -8380.871 | -8390.212 | 0.331 | -8389.881 | 9.038 | -0.028 | 9.010 | 0.000 | 8390.212 |