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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 | -113.2867610 | -113.5691911 | 0.2824301 | 0.0000000 | 113.5691911 | ||||||
| cm-1 | 3462.5 | 2768.2 | 694.2 | ||||||||
| eV | -3082.690 | 0.429 | -3082.260 | -3090.375 | 0.343 | -3090.032 | 7.685 | 0.086 | 7.771 | 0.000 | 3090.375 |