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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 | -2671.0065325 | -2671.4502581 | 0.4437256 | 0.0000000 | 2671.4502581 | ||||||
| cm-1 | 345.1 | 306.9 | 38.1 | ||||||||
| eV | -72681.784 | 0.043 | -72681.741 | -72693.858 | 0.038 | -72693.820 | 12.074 | 0.005 | 12.079 | 0.000 | 72693.858 |