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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 | -2860.3095969 | -2860.5736053 | 0.2640084 | 0.0000000 | 2860.5736053 | ||||||
| cm-1 | 264.9 | 210.4 | 54.5 | ||||||||
| eV | -77832.982 | 0.033 | -77832.950 | -77840.166 | 0.026 | -77840.140 | 7.184 | 0.007 | 7.191 | 0.000 | 77840.166 |