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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 | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -289.2090837 | -289.4859781 | 0.2768944 | 0.0000000 | 289.4859781 | ||||||
| cm-1 | 1052.6 | 983.5 | 69.1 | ||||||||
| eV | -7869.779 | 0.131 | -7869.649 | -7877.314 | 0.122 | -7877.192 | 7.535 | 0.009 | 7.543 | 0.000 | 7877.314 |