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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 | -2690.1287510 | -2690.4973560 | 0.3686049 | 0.0000000 | 2690.4973560 | ||||||
| cm-1 | 276.9 | 279.9 | -3.0 | ||||||||
| eV | -73202.126 | 0.034 | -73202.092 | -73212.156 | 0.035 | -73212.122 | 10.030 | -0.000 | 10.030 | 0.000 | 73212.156 |