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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 | -39.9272588 | -40.3893618 | 0.4621029 | 0.0000000 | 40.3893618 | ||||||
| cm-1 | 8178.7 | 9466.0 | -1287.2 | ||||||||
| eV | -1086.476 | 1.014 | -1085.462 | -1099.050 | 1.174 | -1097.877 | 12.574 | -0.160 | 12.415 | 0.000 | 1099.050 |