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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 | -152.0007532 | -152.3622481 | 0.3614949 | 0.0000000 | 152.3622481 | ||||||
| cm-1 | 11407.4 | 11817.5 | -410.1 | ||||||||
| eV | -4136.151 | 1.414 | -4134.737 | -4145.988 | 1.465 | -4144.522 | 9.837 | -0.051 | 9.786 | 0.000 | 4145.988 |