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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 | -94.1028139 | -94.4735793 | 0.3707654 | 0.0000000 | 94.4735793 | ||||||
cm-1 | 7888.0 | 8466.0 | -578.0 | ||||||||
eV | -2560.668 | 0.978 | -2559.690 | -2570.757 | 1.050 | -2569.707 | 10.089 | -0.072 | 10.017 | 0.000 | 2570.757 |