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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 | -114.0723602 | -114.4637266 | 0.3913664 | 0.0000000 | 114.4637266 | ||||||
| cm-1 | 5077.6 | 5622.1 | -544.5 | ||||||||
| eV | -3104.067 | 0.630 | -3103.437 | -3114.716 | 0.697 | -3114.019 | 10.650 | -0.068 | 10.582 | 0.000 | 3114.716 |