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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 | -7.7943194 | -8.0882878 | 0.2939684 | 0.0000000 | 8.0882878 | ||||||
| cm-1 | 222.4 | 687.8 | -465.4 | ||||||||
| eV | -212.094 | 0.028 | -212.067 | -220.094 | 0.085 | -220.008 | 7.999 | -0.058 | 7.942 | 0.000 | 220.094 |