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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 | -94.1079397 | -94.4822353 | 0.3742955 | 0.0000000 | 94.4822353 | ||||||
cm-1 | 8133.7 | 8701.3 | -567.6 | ||||||||
eV | -2560.807 | 1.008 | -2559.799 | -2570.992 | 1.079 | -2569.914 | 10.185 | -0.070 | 10.115 | 0.000 | 2570.992 |