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Computational Chemistry Comparison and Benchmark DataBase Release 18 (October 2016) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Comparisons > Vibrations > Vibrations > 2 calculations | |
| symmetry | frequency (cm-1) | reduced mass (amu) | IR Intensity (km mol-1) | ||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| mode number | A | B | A | B | diff. | ratio | A | B | diff. | ratio | A | B | diff. | ratio | |||
| 1 | A' | A' | 3141 | 3157 | -16.3 | 0.995 | 1.103 | 1.103 | 0.000 | 1.000 | 0.40 | 0.96 | 0.417 | ||||
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