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Calculated Frequencies for B(CH3)3 (trimethylborane) 1A C3

19 07 18 15 43
InChI=1S/C3H9B/c1-4(2)3/h1-3H3 INChIKey=WXRGABKACDFXMG-UHFFFAOYSA-N


Click on an entry for details. A subscript indicates the number of imaginary frequencies.
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
6-31G* 6-311+G(3df,2p) cc-pVDZ cc-pVTZ aug-cc-pVTZ daug-cc-pVTZ
density functional M06-2X   freq3R        
B97D3           freq1R
Moller Plesset perturbation B2PLYP=FULLultrafine freq1R   freq1R freq1R freq1  
6-31G* 6-311+G(3df,2p) cc-pVDZ cc-pVTZ aug-cc-pVTZ daug-cc-pVTZ
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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