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Calculated Frequencies for CH3CHFCH2CH3 (2-fluorobutane) 1A C1

19 07 18 15 43
InChI=1S/C4H9F/c1-3-4(2)5/h4H,3H2,1-2H3/t4-/m0/s1 INChIKey=

Calculated internal rotation data available. Internal rotation corresponds to mode 36.


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An R subscript indicates raman activity data is available.
For a comparison of experimental versus calculated see section IV.C.1 Compare vibrational frequencies
Methods with predefined basis sets

Methods with standard basis sets
For descriptions of the methods (AM1, HF, MP2, ...) and basis sets (3-21G, 3-21G*, 6-31G, ...) see the glossary in section I.C. Predefined means the basis set used is determined by the method.
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