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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 | -92.4685492 | -92.9093935 | 0.4408443 | 0.0000000 | 92.9093935 | ||||||
cm-1 | 3220.1 | 3528.9 | -308.8 | ||||||||
eV | -2516.197 | 0.399 | -2515.798 | -2528.193 | 0.438 | -2527.756 | 11.996 | -0.038 | 11.958 | 0.000 | 2528.193 |