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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 | -609.9523174 | -610.3579137 | 0.4055962 | 0.0000000 | 610.3579137 | ||||||
| cm-1 | 1422.2 | 1200.1 | 222.1 | ||||||||
| eV | -16597.647 | 0.176 | -16597.470 | -16608.683 | 0.149 | -16608.535 | 11.037 | 0.028 | 11.064 | 0.000 | 16608.683 |