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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 | -137.1943109 | -137.5174331 | 0.3231222 | 0.0000000 | 137.5174331 | ||||||
| cm-1 | 855.9 | 629.4 | 226.6 | ||||||||
| eV | -3733.247 | 0.106 | -3733.141 | -3742.040 | 0.078 | -3741.962 | 8.793 | 0.028 | 8.821 | 0.000 | 3742.040 |