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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 | -118.0831119 | -117.7840692 | -0.2990427 | 0.0000000 | 117.7840692 | ||||||
| cm-1 | 18674.9 | 16837.7 | 1837.3 | ||||||||
| eV | -3213.205 | 2.315 | -3210.889 | -3205.068 | 2.088 | -3202.980 | -8.137 | 0.228 | -7.910 | 0.000 | 3205.068 |