sys conf na1 nm na V1 EB Up2 freq1 EM1 GR K K0 K0p missing benzene cryst 12 4 48 9.58 0.57 4.6 6.76 2.2 2.7 7.5 7.5 8.9 naphthalene cryst 18 2 36 9.45 0.83 7.3 -1.58 3.8 3.9 7.7 8.9 9.0 anthracene cryst 24 2 48 9.42 1.10 10.2 4.56 0.9 1.9 8.1 9.9 9.4 tetracene cryst 30 2 60 9.37 1.40 4.9 5.60 1.1 2.0 9.1 10.1 8.2 pentacene cryst 36 2 72 9.24 1.72 5.9 4.62 0.4 1.1 10.2 9.2 4.5 hexacene cryst 42 2 84 9.10 2.04 39.9 5.45 0.2 0.5 5.0 10.3 6.9 chrysene cryst 30 4 120 9.44 1.35 6.7 2.90 1.7 2.4 8.7 10.0 6.6 pyrene cryst 26 4 104 9.64 1.10 5.0 3.37 2.1 2.6 8.5 9.9 8.4 perylene cryst 32 2 64 9.20 1.43 6.9 6.27 1.0 2.0 9.4 11.4 8.3 IF12b cryst 34 2 68 9.19 1.50 5.0 5.97 3.1 4.2 9.7 11.8 9.6 IF21a cryst 34 4 136 9.62 1.42 6.1 1.41 0.7 1.3 7.9 7.9 10.1 triphenylene cryst 30 4 120 9.30 1.29 5.4 4.28 2.0 2.5 8.3 9.2 8.6 coronene cryst 36 2 72 9.63 1.51 8.7 4.48 1.5 2.4 11.4 9.3 7.1 stilbene cryst 26 4 104 9.41 1.16 7.5 4.92 3.3 3.3 9.3 9.9 7.8 triazine cryst 9 4 36 10.23 0.64 22.2 4.89 0.4 1.3 8.7 11.9 16.8 phenazine cryst 22 2 44 9.82 1.05 4.9 6.74 1.5 2.2 11.3 10.2 1.9 carbazole cryst 22 4 88 9.24 1.16 6.3 0.66 0.2 0.8 9.4 10.3 9.8 ICZb cryst 32 2 64 9.23 1.79 6.4 3.92 0.8 2.0 10.2 10.7 6.5 TCNQ cryst 20 4 80 12.51 1.35 14.1 5.29 0.7 1.8 10.5 10.8 7.5 TCNQ-F2 cryst 20 2 40 12.91 1.35 19.9 7.63 0.1 0.3 8.3 10.1 9.4 TCNQ-F4 cryst 20 4 80 13.99 1.29 11.3 4.48 1.2 1.6 7.6 8.0 8.4 ICZbCl2c cryst 32 2 64 10.41 1.89 8.5 5.20 1.9 3.1 10.7 11.7 6.5 pentaceneN2Cl4 cryst 34 2 68 11.95 1.76 15.6 3.21 2.6 3.4 10.3 9.0 9.2 TTTT cryst 18 2 36 12.75 1.29 7.0 4.73 4.1 6.3 9.6 11.5 7.7 BTBT cryst 24 2 48 10.96 1.26 5.3 4.88 1.4 2.8 8.8 9.7 7.7 DNTT cryst 36 2 72 10.44 1.78 5.8 3.01 0.3 1.2 8.9 9.9 8.6 DATT cryst 48 2 96 10.05 2.38 5.6 3.60 0.7 2.0 9.2 11.2 8.8 DNBDT cryst 42 2 84 9.99 2.07 7.1 5.87 1.3 3.6 10.3 10.2 7.6 NDT cryst 24 4 96 10.97 1.22 1.2 3.48 1.7 2.7 9.6 10.2 8.5 bithiophene cryst 16 2 32 11.75 0.93 10.9 3.47 0.4 0.7 6.8 9.4 7.5 oligothiophene4 cryst 30 2 60 11.79 1.71 7.8 5.32 0.8 1.2 9.4 9.7 8.4 oligothiophene6 cryst 44 2 88 11.73 2.52 5.6 4.65 1.1 1.7 10.4 10.7 9.5 benzotrithiophene cryst 21 4 84 12.49 1.19 6.4 4.29 1.9 2.8 8.7 9.7 8.7 benzotrithiopheneA cryst 21 4 84 12.15 1.27 6.3 4.23 1.6 2.8 8.5 9.8 7.4 TTF cryst 14 2 28 13.53 1.15 11.3 4.72 3.7 6.0 10.3 11.5 10.1 HMTTF cryst 28 4 112 10.20 1.63 3.8 3.69 1.3 3.8 11.8 11.8 7.0 DBTTF cryst 26 2 52 11.70 1.56 8.2 4.74 1.0 3.1 10.2 10.6 10.4 benzeneF6 cryst 12 6 72 13.39 0.46 16.0 3.94 2.2 2.2 3.5 6.1 10.6 benzeneO2 cryst 12 2 24 10.77 0.80 10.6 4.05 -0.2 -2.1 7.1 7.2 7.4 anthraquinone cryst 24 2 48 9.73 1.23 35.1 4.71 1.2 2.6 8.4 9.2 7.3 PTCDA cryst 38 2 76 10.12 2.28 9.7 3.54 1.2 2.4 9.2 12.7 9.5 NDFPh cryst 44 2 88 9.91 1.80 5.8 3.23 0.7 1.8 7.8 8.2 8.6 NDI cryst 26 2 52 10.10 1.85 9.9 5.45 0.9 2.0 10.8 11.7 10.2 PDI cryst 40 2 80 9.71 2.61 8.5 5.60 3.6 4.4 13.2 12.9 7.6 quinacridone cryst 36 2 72 9.51 2.35 9.7 4.87 1.2 2.8 8.5 9.2 10.2 pentaceneN4O2 cryst 32 2 64 9.96 2.03 7.9 3.86 2.1 3.9 11.5 12.8 7.7 indigo cryst 30 2 60 9.64 1.70 4.4 4.60 2.6 4.3 10.4 12.3 5.5 indigoCl2 cryst 30 2 60 11.05 1.86 6.1 5.02 1.3 1.9 13.9 13.3 7.1 dibenzoindigo cryst 42 2 84 9.64 2.03 6.8 4.77 1.4 2.4 13.2 10.6 9.4 carbazoleNO2b cryst 24 4 96 9.99 1.19 6.6 3.13 0.6 1.3 9.4 11.7 8.8 TTAa cryst 36 2 72 11.30 1.95 4.6 4.40 2.6 4.2 11.4 12.6 8.1 TTAb cryst 36 2 72 11.30 1.98 5.3 5.86 2.3 4.2 10.6 11.2 6.5 TTPa cryst 34 2 68 11.71 1.92 6.6 4.41 2.3 4.1 12.2 11.6 9.9 TTPb cryst 34 4 136 11.88 1.87 6.9 3.05 1.5 3.9 8.9 9.9 8.5 TTPc cryst 34 2 68 11.98 1.86 7.2 5.00 1.6 2.7 10.1 11.5 5.5 PBBTZ cryst 30 4 120 10.61 1.86 3.1 2.12 -9.9 -9.9 13.7 11.5 9.5 thiazolothiazolePh cryst 30 2 60 10.77 1.50 7.3 1.13 1.0 1.9 6.9 10.4 3.8 benzodithiopheneO2 cryst 18 2 36 11.87 1.26 7.3 5.61 1.5 3.3 13.1 12.7 7.6 C60 cryst 60 4 240 11.76 1.64 2.0 4.61 8.8 6.8 10.4 10.8 13.5 triptycene cryst 34 4 136 9.82 1.25 4.7 1.85 5.0 5.1 7.1 8.9 8.0 BODIPY cryst 21 8 168 10.06 1.07 9.1 3.65 2.3 2.6 6.9 7.5 0.6 OPV3CN cryst 42 4 168 10.15 1.95 6.6 3.45 1.9 3.5 10.0 12.2 10.0 spirobifluorene cryst 41 4 164 10.16 1.38 3.9 3.40 1.8 2.8 8.0 8.7 8.8 spirobidibenzosilole cryst 41 4 164 10.48 1.54 3.1 3.53 3.6 3.9 7.7 8.8 10.3 triphenyltriazine cryst 39 4 156 9.48 1.64 5.3 2.90 2.0 3.7 9.5 9.8 7.2 triphenylbenzene cryst 42 4 168 9.60 1.61 3.6 -1.18 0.9 2.4 7.0 8.7 9.4 TPP cryst 34 4 136 10.10 1.32 4.3 2.76 1.4 2.4 7.8 8.8 10.8