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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 | -75.9441902 | -76.3885443 | 0.4443541 | 0.0000000 | 76.3885443 | ||||||
| cm-1 | 3884.4 | 4433.9 | -549.5 | ||||||||
| eV | -2066.547 | 0.482 | -2066.065 | -2078.638 | 0.550 | -2078.088 | 12.091 | -0.068 | 12.023 | 0.000 | 2078.638 |