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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 | -112.7949008 | -113.3173231 | 0.5224224 | 0.0000000 | 113.3173231 | ||||||
| cm-1 | 1101.0 | 1061.8 | 39.3 | ||||||||
| eV | -3069.305 | 0.137 | -3069.169 | -3083.521 | 0.132 | -3083.390 | 14.216 | 0.005 | 14.221 | 0.000 | 3083.521 |