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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 | -327.0141700 | -327.3633693 | 0.3491992 | 0.0000000 | 327.3633693 | ||||||
cm-1 | 370.1 | 460.4 | -90.3 | ||||||||
eV | -8898.508 | 0.046 | -8898.462 | -8908.010 | 0.057 | -8907.953 | 9.502 | -0.011 | 9.491 | 0.000 | 8908.010 |