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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 | -128.8813216 | -129.2485163 | 0.3671947 | 0.0000000 | 129.2485163 | ||||||
| cm-1 | 1204.3 | 972.0 | 232.2 | ||||||||
| eV | -3507.039 | 0.149 | -3506.890 | -3517.031 | 0.121 | -3516.910 | 9.992 | 0.029 | 10.021 | 0.000 | 3517.031 |