pcm ====== This option controls the polarized continuum model. .. contents:: :local: .. option:: solvent .. list-table:: :stub-columns: 1 :widths: 5 20 * - Value - 7 real numbers * - - ``water`` * - - ``acetic acid`` * - - ``acetone`` * - - ``acetonitrile`` * - - ``acetophenone`` * - - ``aniline`` * - - ``anisole`` * - - ``benzaldehyde`` * - - ``benzene`` * - - ``benzonitrile`` * - - ``benzyl chloride`` * - - ``1-bromo-2-methylpropane`` * - - ``bromobenzene`` * - - ``bromoethane`` * - - ``bromoform`` * - - ``1-bromooctane`` * - - ``1-bromopentane`` * - - ``2-bromopropane`` * - - ``1-bromopropane`` * - - ``butanal`` * - - ``butanoic acid`` * - - ``1-butanol`` * - - ``2-butanol`` * - - ``butanone`` * - - ``butanonitrile`` * - - ``butyl acetate`` * - - ``butylamine`` * - - ``n-butylbenzene`` * - - ``sec-butylbenzene`` * - - ``tert-butylbenzene`` * - - ``carbon disulfide`` * - - ``carbon tetrachloride`` * - - ``chlorobenzene`` * - - ``sec-butyl chloride`` * - - ``chloroform`` * - - ``1-chlorohexane`` * - - ``1-chloropentane`` * - - ``1-chloropropane`` * - - ``o-chlorotoluene`` * - - ``m-cresol`` * - - ``o-cresol`` * - - ``cyclohexane`` * - - ``cyclohexanone`` * - - ``cyclopentane`` * - - ``cyclopentanol`` * - - ``cyclopentanone`` * - - ``cis-decalin`` * - - ``trans-decalin`` * - - ``decalin (cis/trans mixture)`` * - - ``n-decane`` * - - ``1-decanol`` * - - ``1,2-dibromoethane`` * - - ``dibromomethane`` * - - ``dibutyl ether`` * - - ``o-dichlorobenzene`` * - - ``1,2-dichloroethane`` * - - ``cis-dichloroethylene`` * - - ``trans-dichloroethylene`` * - - ``dichloromethane`` * - - ``diethyl ether`` * - - ``diethyl sulfide`` * - - ``diethylamine`` * - - ``diiodomethane`` * - - ``diisopropyl ether`` * - - ``dimethyl disulfide`` * - - ``dimethyl sulfoxide`` * - - ``n,n-dimethylacetamide`` * - - ``cis-1,2-dimethylcyclohexane`` * - - ``n,n-dimethylformamide`` * - - ``2,4-dimethylpentane`` * - - ``2,4-dimethylpyridine`` * - - ``2,6-dimethylpyridine`` * - - ``1,4-dioxane`` * - - ``diphenyl ether`` * - - ``dipropylamine`` * - - ``n-dodecane`` * - - ``1,2-ethanediol`` * - - ``ethanethiol`` * - - ``ethanol`` * - - ``ethyl acetate`` * - - ``ethyl formate`` * - - ``ethylbenzene`` * - - ``ethylphenyl ether`` * - - ``fluorobenzene`` * - - ``1-fluorooctane`` * - - ``formamide`` * - - ``formic acid`` * - - ``n-heptane`` * - - ``1-heptanol`` * - - ``2-heptanone`` * - - ``4-heptanone`` * - - ``n-hexadecane`` * - - ``n-hexane`` * - - ``hexanoic acid`` * - - ``1-hexanol`` * - - ``2-hexanone`` * - - ``1-hexene`` * - - ``1-hexyne`` * - - ``iodobenzene`` * - - ``1-iodobutane`` * - - ``iodoethane`` * - - ``1-iodohexadecane`` * - - ``iodomethane`` * - - ``1-iodopentane`` * - - ``1-iodopropane`` * - - ``isopropylbenzene`` * - - ``p-isopropyltoluene`` * - - ``mesitylene`` * - - ``methanol`` * - - ``2-methoxyethanol`` * - - ``methyl acetate`` * - - ``methyl benzoate`` * - - ``methyl butanoate`` * - - ``methyl formate`` * - - ``4-methyl-2-pentanone`` * - - ``methyl propanoate`` * - - ``2-methyl-1-propanol`` * - - ``2-methyl-2-propanol`` * - - ``n-methylaniline`` * - - ``methylcyclohexane`` * - - ``n-methylformamide (e/z mixture)`` * - - ``2-methylpentane`` * - - ``2-methylpyridine`` * - - ``3-methylpyridine`` * - - ``4-methylpyridine`` * - - ``nitrobenzene`` * - - ``nitroethane`` * - - ``nitromethane`` * - - ``1-nitropropane`` * - - ``2-nitropropane`` * - - ``o-nitrotoluene`` * - - ``n-nonane`` * - - ``1-nonanol`` * - - ``5-nonanone`` * - - ``n-octane`` * - - ``1-octanol`` * - - ``2-octanone`` * - - ``n-pentadecane`` * - - ``pentanal`` * - - ``n-pentane`` * - - ``pentanoic acid`` * - - ``1-pentanol`` * - - ``2-pentanone`` * - - ``3-pentanone`` * - - ``1-pentene`` * - - ``e-2-pentene`` * - - ``pentyl acetate`` * - - ``pentylamine`` * - - ``perfluorobenzene`` * - - ``phenylmethanol`` * - - ``propanal`` * - - ``propanoic acid`` * - - ``1-propanol`` * - - ``2-propanol`` * - - ``propanonitrile`` * - - ``2-propen-1-ol`` * - - ``propyl acetate`` * - - ``propylamine`` * - - ``pyridine`` * - - ``tetrachloroethene`` * - - ``tetrahydrofuran`` * - - ``tetrahydrothiophene-s,s-dioxide`` * - - ``tetralin`` * - - ``thiophene`` * - - ``thiophenol`` * - - ``toluene`` * - - ``tributyl phosphate`` * - - ``1,1,1-trichloroethane`` * - - ``1,1,2-trichloroethane`` * - - ``trichloroethene`` * - - ``triethylamine`` * - - ``2,2,2-trifluoroethanol`` * - - ``1,2,4-trimethylbenzene`` * - - ``2,2,4-trimethylpentane`` * - - ``n-undecane`` * - - ``m-xylene`` * - - ``o-xylene`` * - - ``p-xylene`` * - - ``xylene (mixture)`` * - - ``1,1-dichloroethane`` * - - ``1-iodopentene`` * - - ``1-pentyne`` * - - ``2-chlorobutane`` * - - ``benzyl alcohol`` * - Default - None The solvent name. It can be one of the string given in the table above, or 7 real numbers, which are: ``dielectric_constant refraction_index Abraham_alpha Abraham_beta abomaticity halogenicity macro_surface_tension``.