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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 | -153.6881023 | -153.9139898 | 0.2258876 | 0.0000000 | 153.9139898 | ||||||
| cm-1 | 14558.9 | 14083.0 | 475.8 | ||||||||
| eV | -4182.066 | 1.805 | -4180.261 | -4188.213 | 1.746 | -4186.467 | 6.147 | 0.059 | 6.206 | 0.000 | 4188.213 |