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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 | -598.0259388 | -598.3100402 | 0.2841014 | -598.0233654 | 0.2866748 | ||||||
| cm-1 | 224.9 | 254.9 | -30.0 | ||||||||
| eV | -16273.113 | 0.028 | -16273.085 | -16280.844 | 0.032 | -16280.813 | 7.731 | -0.004 | 7.727 | -16273.043 | 7.801 |