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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 | -558.6949550 | -559.1544642 | 0.4595091 | 0.0000000 | 559.1544642 | ||||||
| cm-1 | 436.5 | 373.2 | 63.2 | ||||||||
| eV | -15202.863 | 0.054 | -15202.809 | -15215.367 | 0.046 | -15215.320 | 12.504 | 0.008 | 12.512 | 0.000 | 15215.367 |