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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 | -77.4371901 | -77.7488479 | 0.3116578 | 0.0000000 | 77.7488479 | ||||||
| cm-1 | 7176.7 | 7641.4 | -464.7 | ||||||||
| eV | -2107.173 | 0.890 | -2106.283 | -2115.654 | 0.947 | -2114.706 | 8.481 | -0.058 | 8.423 | 0.000 | 2115.654 |