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Calculated Frequencies for C18H12 (Tetracene) 1AG D2h

19 07 18 15 43
InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H INChIKey=IFLREYGFSNHWGE-UHFFFAOYSA-N


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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
6-31G* 6-311+G(3df,2p) cc-pVDZ daug-cc-pVTZ
density functional M06-2X   freqR    
B97D3       dnf
Moller Plesset perturbation B2PLYP=FULLultrafine freqR   freqR  
6-31G* 6-311+G(3df,2p) cc-pVDZ 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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