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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 | -54.5091339 | -54.9811374 | 0.4720034 | 0.0000000 | 54.9811374 | ||||||
| cm-1 | 1496.9 | 1589.4 | -92.4 | ||||||||
| eV | -1483.269 | 0.186 | -1483.083 | -1496.113 | 0.197 | -1495.916 | 12.844 | -0.011 | 12.832 | 0.000 | 1496.113 |