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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 | -488.8804414 | -489.2831244 | 0.4026830 | 0.0000000 | 489.2831244 | ||||||
| cm-1 | 1083.9 | 945.3 | 138.6 | ||||||||
| eV | -13303.113 | 0.134 | -13302.979 | -13314.071 | 0.117 | -13313.954 | 10.958 | 0.017 | 10.975 | 0.000 | 13314.071 |