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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 | -290.8087593 | -291.1102561 | 0.3014968 | 0.0000000 | 291.1102561 | ||||||
cm-1 | 4824.6 | 4638.9 | 185.7 | ||||||||
eV | -7913.309 | 0.598 | -7912.711 | -7921.513 | 0.575 | -7920.938 | 8.204 | 0.023 | 8.227 | 0.000 | 7921.513 |