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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 | -795.1065945 | -795.4483947 | 0.3418002 | 0.0000000 | 795.4483947 | ||||||
| cm-1 | 361.5 | 343.4 | 18.1 | ||||||||
| eV | -21635.951 | 0.045 | -21635.906 | -21645.252 | 0.043 | -21645.209 | 9.301 | 0.002 | 9.303 | 0.000 | 21645.252 |