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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 | -37.8816423 | -38.2512698 | 0.3696275 | 0.0000000 | 38.2512698 | ||||||
| cm-1 | 1400.6 | 1327.3 | 73.2 | ||||||||
| eV | -1030.812 | 0.174 | -1030.638 | -1040.870 | 0.165 | -1040.705 | 10.058 | 0.009 | 10.067 | 0.000 | 1040.870 |