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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 | -857.6502986 | -858.0023637 | 0.3520651 | 0.0000000 | 858.0023637 | ||||||
| cm-1 | 313.6 | 260.8 | 52.8 | ||||||||
| eV | -23337.851 | 0.039 | -23337.813 | -23347.432 | 0.032 | -23347.399 | 9.580 | 0.007 | 9.587 | 0.000 | 23347.432 |