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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 | -290.9633520 | -291.2632349 | 0.2998829 | 0.0000000 | 291.2632349 | ||||||
cm-1 | 4661.6 | 4472.7 | 188.9 | ||||||||
eV | -7917.515 | 0.578 | -7916.937 | -7925.676 | 0.555 | -7925.121 | 8.160 | 0.023 | 8.184 | 0.000 | 7925.676 |