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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 | -342.1517294 | -342.5196895 | 0.3679601 | 0.0000000 | 342.5196895 | ||||||
cm-1 | 2860.5 | 2822.7 | 37.8 | ||||||||
eV | -9310.422 | 0.355 | -9310.067 | -9320.435 | 0.350 | -9320.085 | 10.013 | 0.005 | 10.017 | 0.000 | 9320.435 |