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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 | -55.4104544 | -55.6945499 | 0.2840955 | 0.0000000 | 55.6945499 | ||||||
cm-1 | 7345.3 | 8156.1 | -810.8 | ||||||||
eV | -1507.795 | 0.911 | -1506.884 | -1515.526 | 1.011 | -1514.515 | 7.731 | -0.101 | 7.630 | 0.000 | 1515.526 |