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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 | -131.6875372 | -132.0388070 | 0.3512699 | 0.0000000 | 132.0388070 | ||||||
cm-1 | 9136.2 | 9471.0 | -334.8 | ||||||||
eV | -3583.400 | 1.133 | -3582.267 | -3592.959 | 1.174 | -3591.784 | 9.559 | -0.042 | 9.517 | 0.000 | 3592.959 |