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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 | -540.7063166 | -541.0322803 | 0.3259636 | 0.0000000 | 541.0322803 | ||||||
| cm-1 | 1154.3 | 985.0 | 169.3 | ||||||||
| eV | -14713.367 | 0.143 | -14713.224 | -14722.237 | 0.122 | -14722.115 | 8.870 | 0.021 | 8.891 | 0.000 | 14722.237 |