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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 | -78.4920297 | -78.9357035 | 0.4436739 | 0.0000000 | 78.9357035 | ||||||
| cm-1 | 647.9 | 724.3 | -76.4 | ||||||||
| eV | -2135.877 | 0.080 | -2135.796 | -2147.950 | 0.090 | -2147.860 | 12.073 | -0.009 | 12.064 | 0.000 | 2147.950 |