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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 | -2955.8392144 | -2956.1674867 | 0.3282723 | 0.0000000 | 2956.1674867 | ||||||
| cm-1 | 276.8 | 221.6 | 55.1 | ||||||||
| eV | -80432.475 | 0.034 | -80432.441 | -80441.408 | 0.027 | -80441.381 | 8.933 | 0.007 | 8.940 | 0.000 | 80441.408 |