!-------------------------------------------------------------------- ! Atomic and molecular polarizabilites ! http://cccbdb.nist.gov/pollistx.asp !-------------------------------------------------------------------- ! Molecule; name; State; Conformation; alpha; squib; commment !-------------------------------------------------------------------- H; Hydrogen atom; 1S; Kh; 0.667; 1977Mill/Bed:1; He; Helium atom; 1S; Kh; 0.208; 1997Oln/Can:59; Li; Lithium atom; 2S; Kh; 24.330; 1977Mil/Bed:1; Be; Beryllium atom; 1S; Kh; 5.600; 1977Mil/Bed:1; B; Boron atom; 2P; Kh; 3.030; 1977Mil/Bed:1; C; Carbon atom; 3P; Kh; 1.760; 1977Mil/Bed:1; N; Nitrogen atom; 4S; Kh; 1.100; 1977Mil/Bed:1; O; Oxygen atom; 3S; Kh; 0.802; 1977Mil/Bed:1; F; Fluorine atom; 2P; Kh; 0.557; 1977Mil/Bed:1; Ne; Neon atom; 1S; Kh; 0.381; 1997Oln/Can:59; Na; Sodium atom; 2S; Kh; 24.110; 1997Oln/Can:59; Mg; Magnesium atom; 1S; Kh; 10.600; 1977Mil/Bed:1; Al; Aluminum atom; 2P; Kh; 8.340; 1977Mil/Bed:1; Si; Silicon atom; 3P; Kh; 5.380; 1977Mil/Bed:1; P; Phosphorus atom; 4S; Kh; 3.630; 1977Mil/Bed:1; S; Sulfur atom; 3P; Kh; 2.900; 1977Mil/Bed:1; Cl; Chlorine atom; 2P; Kh; 2.180; 1977Mil/Bed:1; Ar; Argon atom; 1S; Kh; 1.664; 1997Oln/Can:59; K; Potassium atom; 2S; Kh; 43.400; 1977Mil/Bed:1; Ca; Calcium atom; 1S; Kh; 22.800; 1977Mil/Bed:1; Br; Bromine atom; 2P; Kh; 3.050; 1977Mil/Bed:1; Kr; Krypton atom; 1S; Kh; 2.498; 1997Oln/Can:59; D2; Deuterium diatomic; 1Σg; D∞h; 0.783; 1997Oln/Can:59; H2; Hydrogen diatomic; 1Σg; D∞h; 0.787; 1997Oln/Can:59; H2+; Hydrogen cation; 2Σg+; D∞h; 0.469; 2000Jac/Kom:012509; HD; Deuterium hydride; 1Σg; D∞h; 0.791; 1997Oln/Can:59; N2; Nitrogen diatomic; 1Σg; D∞h; 1.710; 1997Oln/Can:59; CO; Carbon monoxide; 1Σ; C∞v; 1.953; 1997Oln/Can:59; NO; Nitric oxide; 2Π; C∞v; 1.698; 1997Oln/Can:59; O2; Oxygen diatomic; 3Σg; D∞h; 1.562; 1997Oln/Can:59; HF; Hydrogen fluoride; 1Σ; C∞v; 0.800; 1998Gus/Rui:163; F2; Fluorine diatomic; 1Σg; D∞h; 1.160; 1998Gus/Rui:163; NaLi; lithium sodium; 1Σ; C∞v; 39.999; 1972Gra/Dag:710; alpha_s=40+-5, alpha_a=24+-2 A^3 MgO; magnesium oxide; 1Σ+; C∞v; 1.750; 1998Gus/Rui:163; HCl; Hydrogen chloride; 1Σ; C∞v; 2.515; 1997Oln/Can:59; Cl2; Chlorine diatomic; 1Σg; D∞h; 4.610; 1997Oln/Can:59; CaO; Calcium monoxide; 1Σ; C∞v; 2.841; 1998Gus/Rui:163; HBr; hydrogen bromide; 1Σ; C∞v; 3.616; 1997Oln/Can:59; Br2; Bromine diatomic; 1Σg; D∞h; 6.431; 1997Oln/Can:59; HI; Hydrogen iodide; 1Σ; C∞v; 5.453; 1997Oln/Can:59; HCN; Hydrogen cyanide; 1Σ; C∞v; 2.593; 1951LB1.3:509; H2O; Water; 1A1; C2v; 1.501; 1997Oln/Can:59; N2O; Nitrous oxide; 1Σ; C∞v; 2.998; 1997Oln/Can:59; CO2; Carbon dioxide; 1Σg; D∞h; 2.507; 1997Oln/Can:59; NO2; Nitrogen dioxide; 2A1; C2v; 2.910; 1997Oln/Can:59; O3; Ozone; 1A1; Cs; 3.079; 1998Gus/Rui:163; FCN; Cyanogen fluoride; 1Σ; C∞v; 2.550; 1998Gus/Rui:163; H2S; Hydrogen sulfide; 1A1; C2v; 3.631; 1997Oln/Can:59; OCS; Carbonyl sulfide; 1Σ; C∞v; 5.090; 1998Gus/Rui:163; SO2; Sulfur dioxide; 1A1; C2v; 3.882; 1951LB1.3:509; CS2; Carbon disulfide; 1Σg; D∞h; 8.749; 1951LB1.3:509; H2Se; Hydrogen selenide; 1A1; C2v; 4.770; 1998Gus/Rui:163; CSe2; Carbon diselenide; 1A1; D∞h; 11.269; 1998Gus/Rui:163; BrCN; Cyanogen bromide; 1Σ; C∞v; 5.824; 1997Oln/Can:59; C2H2; Acetylene; 1Σg; D∞h; 3.487; 1997Oln/Can:59; NH3; Ammonia; 1A1; C3v; 2.103; 1997Oln/Can:59; C2N2; Cyanogen; 1Σg; D∞h; 5.015; 1951LB1.3:509; H2CO; Formaldehyde; 1A1; C2v; 2.770; 1997Oln/Can:59; BF3; Borane, trifluoro-; 1A'; D3h; 2.420; 1998Gus/Rui:163; NF3; Nitrogen trifluoride; 1A1; C3v; 2.810; 1998Gus/Rui:163; PH3; Phosphine; 1A1; C3v; 4.237; 1997Oln/Can:59; PF3; Phosphorus trifluoride; 1A1; C3v; 4.414; 1997Oln/Can:59; HCCCl; Chloroacetylene; 1Σ; C∞v; ; 1987Ebe/Han:1948; alpha_para - alpha_perp = 3.87 A^3 CCl2O; Phosgene; 1A1; C2v; 6.790; 1998Gus/Rui:163; BCl3; Borane, trichloro-; 1A1'; D3h; 8.700; 1998Gus/Rui:163; PCl3; Phosphorus trichloride; 1A1; C3v; 10.634; 1997Oln/Can:59; AsCl3; Arsenous trichloride; 1A1; C3v; 11.370; 1998Gus/Rui:163; PBr3; Phosphorus tribromide; 1A1; C3v; 14.380; 1998Gus/Rui:163; CH4; Methane; 1A1; Td; 2.448; 1997Oln/Can:59; CH2CO; Ketene; 1A1; C2v; 4.400; 1998Gus/Rui:163; HCOOH; Formic acid; 1A'; Cs; 3.319; 1984Gra/Gub; CH3F; Methyl fluoride; 1A1; C3v; 2.540; 1997Oln/Can:59; CH2F2; Methane, difluoro-; 1A1; C2v; 2.761; 1998Gus/Rui:163; CHF3; Methane, trifluoro-; 1A1; C3v; 2.801; 1998Gus/Rui:163; CF4; Carbon tetrafluoride; 1A1; Td; 2.824; 1997Oln/Can:59; SiH4; Silane; 1A1; Td; 4.777; 1997Oln/Can:59; SiF4; Silicon tetrafluoride; 1A1; Td; 3.319; 1998Gus/Rui:163; CH3Cl; Methyl chloride; 1A1; C3v; 4.416; 1997Oln/Can:59; CH2FCl; fluorochloromethane; 1A'; Cs; 4.509; 1998Gus/Rui:163; CH2Cl2; Methylene chloride; 1A1; C2v; 6.659; 1998Gus/Rui:163; CHF2Cl; difluorochloromethane; 1A'; Cs; 4.440; 1998Gus/Rui:163; CHFCl2; fluorodichloromethane; 1A'; Cs; 6.611; 1998Gus/Rui:163; CF3Cl; Methane, chlorotrifluoro-; 1A1; C3v; 4.650; 1998Gus/Rui:163; CHCl3; Chloroform; 1A1; C3v; 8.129; 1998Gus/Rui:163; CF2Cl2; difluorodichloromethane; 1A1; C2v; 6.370; 1997Oln/Can:59; CFCl3; Trichloromonofluoromethane; 1A1; C3v; 8.249; 1998Gus/Rui:163; CCl4; Carbon tetrachloride; 1A1; Td; 10.002; 1997Oln/Can:59; SiCl4; Silane, tetrachloro-; 1A1; Td; 11.269; 1998Gus/Rui:163; TiCl4; Titanium tetrachloride; 1A1; Td; 15.001; 1998Gus/Rui:163; GeF4; Germanium tetrafluoride; 1A1; Td; 4.050; 1998Gus/Rui:163; GeCl4; Germanium Tetrachloride; 1A1; Td; 12.490; 1998Gus/Rui:163; CH3Br; methyl bromide; 1A1; C3v; 5.610; 1984Gra/Gub; CF3Br; Bromotrifluoromethane; 1A1; C3v; 5.650; 1998Gus/Rui:163; CHBr3; bromoform; 1A1; C3v; 11.840; 1998Gus/Rui:163; CH3I; methyl iodide; 1A1; C3v; 7.325; 1997Oln/Can:59; C2H4; Ethylene; 1Ag; D2h; 4.188; 1997Oln/Can:59; C4H2; Diacetylene; 1Σg; D∞h; 6.811; 1998Gus/Rui:163; N2H4; Hydrazine; 1A; C2; 3.460; 1998Gus/Rui:163; CH3CN; Acetonitrile; 1A1; C3v; 4.280; 1998Gus/Rui:163; CH3OH; Methyl alcohol; 1A'; Cs; 3.210; 1998Gus/Rui:163; CHONH2; formamide; 1A'; Planar; 4.080; 1998Gus/Rui:163; PF5; Phosphorus pentafluoride; 1A1'; D3h; 3.650; 1998Gus/Rui:163; CH2CCl2; Ethene, 1,1-dichloro-; 1A1; C2v; 7.830; 1998Gus/Rui:163; CHClCHCl; Ethene, 1,2-dichloro-, (Z)-; 1A1; C2v; 8.030; 1998Gus/Rui:163; CHClCHCl; Ethene, 1,2-dichloro-, (E)-; 1Ag; C2h; 8.150; 1998Gus/Rui:163; CHClCCl2; Trichloroethylene; 1A'; Cs; 9.751; 1998Gus/Rui:163; CH3CCH; propyne; 1A'; C3v; 5.550; 1998Gus/Rui:163; CH2CCH2; allene; 1A1; D2d; 5.690; 1984Gra/Gub; CH3NH2; methyl amine; 1A'; Cs; 3.754; 1997Oln/Can:59; C3H2N2; Malononitrile; 1A1; Cs; 5.790; 1998Gus/Rui:163; CH3CHO; Acetaldehyde; 1A'; Cs; 4.278; 1997Oln/Can:59; C2H4O; Ethylene oxide; 1A1; C2v; 4.431; 1998Gus/Rui:163; CH3NO2; Methane, nitro-; 1A'; Cs; 4.800; 1998Gus/Rui:163; C2H4S; Thiirane; 1A1; C2v; 6.910; 1998Gus/Rui:163; SF6; Sulfur Hexafluoride; 1A1G; Oh; 4.490; 1998Gus/Rui:163; CCl3CHO; trichloroacetaldehyde; 1A'; Cs; 10.500; 1998Gus/Rui:163; SeF6; Selenium hexafluoride; 1A1G; Oh; 5.320; 1998Gus/Rui:163; C2H6; Ethane; 1A1g; D3d; 4.226; 1997Oln/Can:59; CH2CHCHO; Acrolein; 1A'; Cs; 6.379; 1998Gus/Rui:163; CH3OCHO; methyl formate; 1A'; Cs; 5.050; 1998Gus/Rui:163; CH3COOH; Acetic acid; 1A'; Cs; 5.149; 1998Gus/Rui:163; CH3CF3; Ethane, 1,1,1-trifluoro-; 1A1; C3v; 4.400; 1998Gus/Rui:163; Si2H6; disilane; 1Eu; D3d; 9.410; 1998Gus/Rui:163; CH3CH2Cl; Ethyl chloride; 1A'; Cs; 6.590; 1998Gus/Rui:163; CH2ClCH2OH; 2-Chloroethanol; 1A'; Cs; 6.880; 1998Gus/Rui:163; CH2FCH2Cl; Ethane, 1-chloro-2-fluoro-; 1A'; Cs; 6.499; 1998Gus/Rui:163; CH2ClCH2Cl; Ethane, 1,2-dichloro-; 1Ag; C2h; 8.000; 1998Gus/Rui:163; CH3CHCl2; Ethane, 1,1-dichloro-; 1A'; Cs; 8.161; 1998Gus/Rui:163; CH3CCl3; Ethane, 1,1,1-trichloro-; 1A1; C3v; 10.120; 1998Gus/Rui:163; CH2ClCHCl2; 1,1,2-trichloroethane; 1A; C1; 10.260; 1998Gus/Rui:163; CHCl2CHF2; 1,1-dichloro-2,2-difluoroethane; 1A'; Cs; 8.401; 1998Gus/Rui:163; CH2CHCH3; Propene; 1A'; Cs; 5.990; 1998Gus/Rui:163; C3H6; Cyclopropane; 1A1'; D3h; 5.640; 1984Gra/Gub; C2H5CN; ethyl cyanide; 1A'; Cs; 6.240; 1998Gus/Rui:163; CH3OCH3; Dimethyl ether; 1A1; C2v; 5.160; 1984Gra/Gub; CH3CH2OH; Ethanol; 1A'; Cs; 5.112; 1984Gra/Gub; CH3CONH2; Acetamide; 1A'; C1; 5.670; 1998Gus/Rui:163; C4H4O; Furan; 1A1; C2; 7.230; 1998Gus/Rui:163; CH3CH2SH; ethanethiol; 1A'; Cs; 7.380; 1998Gus/Rui:163; CH3SCH3; Dimethyl sulfide; 1A1; C2v; 7.550; 1984Gra/Gub; C4H4S; Thiophene; 1A1; C2v; 9.010; 1998Gus/Rui:163; C3H5Cl; 1-Propene, 3-chloro-; 1A; C1; 7.400; 1998Gus/Rui:163; CH2CHCHCH2; 1,3-Butadiene; 1Ag; C2h; 8.881; 1998Gus/Rui:163; CH3CCCH3; 2-Butyne; 1A1'; D3h; 7.480; 1998Gus/Rui:163; CH3NHCH3; Dimethylamine; 1A'; Cs; 5.447; 1997Oln/Can:59; CH3CH2NH2; Ethylamine; 1A'; Cs; 5.870; 1998Gus/Rui:163; C4H5N; Pyrrole; 1A1; C2v; 7.940; 1998Gus/Rui:163; C4H5N; (E)-2-Butenenitrile; 1A'; Cs; 8.201; 1998Gus/Rui:163; CH3CH2CHO; Propanal; 1A'; Cs; 6.350; 1998Gus/Rui:163; CH3COCH3; Acetone; 1A1; C2v; 6.270; 1998Gus/Rui:163; C2H6O2; 1,2-Ethanediol; 1Ag; C2h; 5.710; 1998Gus/Rui:163; C4H4O2; 2-Oxetanone, 4-methylene-; 1A; C1; 8.000; 1998Gus/Rui:163; CH3SOCH3; Dimethyl sulfoxide; 1A'; Cs; 7.969; 1998Gus/Rui:163; C3H8; Propane; 1A1; C2v; 5.921; 1997Oln/Can:59; C5H5N; Pyridine; 1A1; C2v; 9.493; 1984Gra/Gub; CHOCHCHCH3; 2-Butenal; 1A'; Cs; 8.500; 1998Gus/Rui:163; HCOOC2H5; Ethyl formate; 1A'; Cs; 6.880; 1998Gus/Rui:163; CH3CH2COOH; Propanoic Acid; 1A'; Cs; 6.960; 1998Gus/Rui:163; CH3COOCH3; methyl acetate; 1A'; Cs; 6.811; 1998Gus/Rui:163; C2H6O2S; Dimethyl sulfone; 1A1; Cs; 8.401; 1998Gus/Rui:163; CH2CHCH2CH3; 1-Butene; 1A; C1; 7.830; 1998Gus/Rui:163; CH2C(CH3)CH3; 1-Propene, 2-methyl-; 1A1; C2v; 7.880; 1998Gus/Rui:163; CH3CHCHCH3; 2-Butene, (E)-; 1Ag; C2h; 7.880; 1998Gus/Rui:163; C6H6; Benzene; 1A1g; D6h; 9.959; 1998Gus/Rui:163; C2H8N2; Ethylenediamine; 1Ag; C2h; 7.200; 1998Gus/Rui:163; CH3CH(CH3)CN; Propanenitrile, 2-methyl-; 1A'; Cs; 8.049; 1998Gus/Rui:163; C3H7OH; 1-Propanol; 1A'; Cs; 6.670; 1998Gus/Rui:163; CH3CHOHCH3; Isopropyl alcohol; 1A; C1; 6.670; 1998Gus/Rui:163; C3H7NO; dimethylformamide; 1A'; Cs; 7.809; 1998Gus/Rui:163; C4H6O2; 2,3-Butanedione; 1Ag; C2h; 8.201; 1998Gus/Rui:163; C3H6O3; 1,3,5-Trioxane; 1A1; C1; 7.020; 1998Gus/Rui:163; C6H4O2; parabenzoquinone; 1Ag; D2h; 11.229; 1998Gus/Rui:163; C4H4N2O2; Uracil; 1A'; Cs; 10.090; 1998Gus/Rui:163; C6H5F; Fluorobenzene; 1A1; C2v; 10.200; 1984Gra/Gub; C6H5Cl; chlorobenzene; 1A1; C2v; 11.861; 1998Gus/Rui:163; C6H4Cl2; 1,3-dichlorobenzene; 1A1; C2v; 13.729; 1998Gus/Rui:163; C5H8; Spiropentane; 1A1; D2d; 8.049; 1998Gus/Rui:163; NH2CH2CH2CH3; 1-Propanamine; 1A'; Cs; 7.700; 1998Gus/Rui:163; N(CH3)3; Trimethylamine; 1A1; C3v; 7.076; 1997Oln/Can:59; CH3CH(NH2)CH3; 2-Propanamine; 1A'; Cs; 7.769; 1998Gus/Rui:163; C6H5CN; phenyl cyanide; 1A1; C2v; 11.981; 1998Gus/Rui:163; C4H8O; Furan, tetrahydro-; 1A; C2; 7.880; 1998Gus/Rui:163; CHOCH2CH2CH3; Butanal; 1A'; Cs; 8.180; 1998Gus/Rui:163; CH3COCH2CH3; 2-Butanone; 1A'; Cs; 8.190; 1998Gus/Rui:163; C3H8O2; Methane, dimethoxy-; 1A; C2; 7.700; 1998Gus/Rui:163; C3H7ONO; Propyl nitrite; 1A'; Cs; 8.500; 1998Gus/Rui:163; C6H5OH; phenol; 1A'; Cs; 10.909; 1998Gus/Rui:163; CH3CH2CH2CH3; Butane; 1Ag; Anti; 8.020; 1998Gus/Rui:163; CH3CH(CH3)CH3; Isobutane; 1A1; C3v; 8.009; 1998Gus/Rui:163; C6H5NH2; aniline; 1A'; C2v; 11.581; 1998Gus/Rui:163; C5H8O; Cyclopentanone; 1A; C2; 9.250; 1998Gus/Rui:163; C4H8O2; 1,4-Dioxane; 1Ag; C2h; 8.430; 1998Gus/Rui:163; C4H8O2; Ethyl acetate; 1A'; Cs; 8.620; 1998Gus/Rui:163; C3H8O3; 1,2,3-Propanetriol; 1A; C1; 7.860; 1998Gus/Rui:163; C6H5CHO; benzaldehyde; 1A'; C1; 12.800; 1998Gus/Rui:163; C6H5NO2; Nitrobenzene; 1A1; C2; 12.259; 1998Gus/Rui:163; CH2ClCH2CH2CH3; Butane, 1-chloro-; 1A'; Cs; 11.301; 1998Gus/Rui:163; CH3CHClCH2CH3; Butane, 2-chloro-; 1A; C1; 12.499; 1998Gus/Rui:163; CH3CCl(CH3)CH3; Propane, 2-chloro-2-methyl-; 1A1; C3v; 9.879; 1998Gus/Rui:163; C5H10; 2-Pentene, (E)-; 1A'; Cs; 9.839; 1998Gus/Rui:163; CH2CHCH2CH2CH3; 1-pentene; 1A; C1; 9.650; 1998Gus/Rui:163; C5H10; Cyclopentane; 1A; C1; 9.170; 1998Gus/Rui:163; C6H5CH3; toluene; 1A'; Cs; 11.861; 1998Gus/Rui:163; C5H9N; Propanenitrile, 2,2-dimethyl-; 1A1; C1; 9.591; 1998Gus/Rui:163; C4H10O; Methyl propyl ether; 1A; C1; 8.860; 1998Gus/Rui:163; C4H10O; 2-Butanol, (.+/-.)-; 1A; C1; 8.570; 1998Gus/Rui:163; C4H10O; Ethoxy ethane; 1A1; C2v; 8.730; 1998Gus/Rui:163; C4H10O; 1-Butanol; 1A'; Cs; 8.570; 1998Gus/Rui:163; C2H5SC2H5; Diethyl sulfide; 1A1; C2v; 10.549; 1998Gus/Rui:163; C6H10; 1-Hexyne; 1A'; Cs; 10.900; 1998Gus/Rui:163; C6H5CHCH2; Styrene; 1A'; Cs; 14.409; 1998Gus/Rui:163; C5H10O; 3-Pentanone; 1A1; C2v; 9.930; 1998Gus/Rui:163; C5H10O; 2-Pentanone; 1A'; Cs; 9.930; 1998Gus/Rui:163; C6H5OCH3; Anisole; 1A'; Cs; 13.100; 1998Gus/Rui:163; C5H12; Pentane; 1A1; C2v; 9.879; 1998Gus/Rui:163; C5H12; Butane, 2-methyl-; 1A; C1; 8.770; 1998Gus/Rui:163; C5H12; Propane, 2,2-dimethyl-; 1A1; Td; 10.240; 1998Gus/Rui:163; C5H11N; Piperidine; 1A'; NH equatorial; 10.320; 1998Gus/Rui:163; C6H10O; cyclohexanone; 1A'; Cs; 11.061; 1998Gus/Rui:163; C5H11Cl; Pentane, 1-chloro-; 1A'; Cs; 12.000; 1998Gus/Rui:163; C6H12; hex-1-ene; 1A'; Cs; 11.650; 1998Gus/Rui:163; C10H8; naphthalene; 1Ag; D2h; 17.400; 1998Gus/Rui:163; C10H8; Azulene; 1A1; C2v; 15.520; 1998Gus/Rui:163; C5H12O; 1-Pentanol; 1A'; Cs; 11.581; 1998Gus/Rui:163; C5H12O; Propane, 1-ethoxy-; 1A'; Cs; 10.680; 1998Gus/Rui:163; C6H14; Hexane; 1Ag; C2h; 11.630; 1998Gus/Rui:163; C3H7OC3H7; di-n-propyl ether; 1A1; C2v; 12.219; 1998Gus/Rui:163; C12H10; biphenyl; 1A; D2; 19.640; 1998Gus/Rui:163; C6H15N; triethylamine; 1A; C3; 13.380; 1998Gus/Rui:163; C7H16; heptane; 1A1; C2v; 13.371; 1998Gus/Rui:163; C14H10; Anthracene; 1Ag; D2h; 26.700; 1998Gus/Rui:163; C14H10; Phenanthrene; 1A1; C2v; 24.779; 1998Gus/Rui:163; C8H18; Octane; 1AG; C2h; 15.239; 1998Gus/Rui:163; (CH3)3CC(CH3)3; tetramethylbutane; 1A1; D3d; 15.610; 1998Gus/Rui:163; C16H10; Pyrene; 1Ag; D2h; 29.720; 1998Gus/Rui:163; C9H20; Nonane; 1A1; C2v; 17.370; 1998Gus/Rui:163