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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 | -472.3108098 | -472.6345099 | 0.3237000 | 0.0000000 | 472.6345099 | ||||||
| cm-1 | 464.7 | 389.3 | 75.5 | ||||||||
| eV | -12852.231 | 0.058 | -12852.173 | -12861.039 | 0.048 | -12860.991 | 8.808 | 0.009 | 8.818 | 0.000 | 12861.039 |