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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 | -99.5407224 | -100.0178386 | 0.4771161 | 0.0000000 | 100.0178386 | ||||||
| cm-1 | 944.4 | 927.2 | 17.2 | ||||||||
| eV | -2708.641 | 0.117 | -2708.524 | -2721.624 | 0.115 | -2721.509 | 12.983 | 0.002 | 12.985 | 0.000 | 2721.624 |