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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 | -261.6400246 | -262.0089845 | 0.3689600 | 0.0000000 | 262.0089845 | ||||||
| cm-1 | 69.5 | 258.1 | -188.6 | ||||||||
| eV | -7119.587 | 0.009 | -7119.579 | -7129.627 | 0.032 | -7129.595 | 10.040 | -0.023 | 10.017 | 0.000 | 7129.627 |