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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 | -75.9562245 | -76.3323747 | 0.3761502 | 0.0000000 | 76.3323747 | ||||||
| cm-1 | 5095.0 | 5657.5 | -562.5 | ||||||||
| eV | -2066.874 | 0.632 | -2066.242 | -2077.110 | 0.701 | -2076.408 | 10.236 | -0.070 | 10.166 | 0.000 | 2077.110 |