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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 | -116.6722705 | -116.9584376 | 0.2861671 | 0.0000000 | 116.9584376 | ||||||
| cm-1 | 14376.6 | 13883.2 | 493.5 | ||||||||
| eV | -3174.814 | 1.782 | -3173.031 | -3182.601 | 1.721 | -3180.880 | 7.787 | 0.061 | 7.848 | 0.000 | 3182.601 |