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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 | -114.1951052 | -114.4488866 | 0.2537814 | 0.0000000 | 114.4488866 | ||||||
| cm-1 | 8677.6 | 7963.2 | 714.3 | ||||||||
| eV | -3107.407 | 1.076 | -3106.331 | -3114.313 | 0.987 | -3113.325 | 6.906 | 0.089 | 6.994 | 0.000 | 3114.313 |