sys conf na1 nm na V1 EB Up2 freq1 EM1 GR K K0 K0p missing benzene cryst 12 4 48 9.68 0.57 16.0 6.20 2.1 2.7 7.9 naphthalene cryst 18 2 36 9.55 0.83 10.4 4.16 3.8 3.8 8.1 anthracene cryst 24 2 48 9.49 1.10 8.8 5.08 1.7 2.7 9.7 tetracene cryst 30 2 60 9.36 1.40 7.0 6.01 1.7 2.7 10.8 pentacene cryst 36 2 72 9.20 1.72 7.8 5.27 1.3 2.4 11.9 hexacene cryst 42 2 84 9.03 2.04 33.6 5.91 0.6 1.2 9.1 chrysene cryst 30 4 120 9.44 1.35 9.7 2.60 2.0 2.8 9.5 pyrene cryst 26 4 104 9.63 1.10 5.3 2.54 2.5 3.0 9.5 perylene cryst 32 2 64 9.27 1.43 7.4 5.97 1.1 2.1 9.9 IF12b cryst 34 2 68 9.22 1.49 8.9 5.45 3.5 4.6 10.2 IF21a cryst 34 4 136 9.64 1.42 5.1 -2.05 1.0 1.7 8.6 triphenylene cryst 30 4 120 9.25 1.29 7.2 4.84 3.4 3.5 10.5 coronene cryst 36 2 72 9.58 1.51 10.8 4.17 2.1 3.1 12.5 stilbene cryst 26 4 104 9.45 1.16 6.5 3.59 2.6 3.3 9.4 triazine cryst 9 4 36 10.13 0.63 8.4 6.19 0.9 2.5 10.1 phenazine cryst 22 2 44 9.83 1.05 11.2 6.24 1.8 2.5 12.8 carbazole cryst 22 4 88 9.24 1.16 9.7 2.00 1.0 2.7 10.4 ICZb cryst 32 2 64 9.20 1.79 7.5 4.57 1.1 2.7 11.2 TCNQ cryst 20 4 80 12.50 1.35 15.8 5.13 1.2 2.2 11.7 TCNQ-F2 cryst 20 2 40 12.86 1.35 15.8 8.43 0.6 2.1 10.2 TCNQ-F4 cryst 20 4 80 13.83 1.29 12.0 3.24 2.6 2.4 9.9 ICZbCl2c cryst 32 2 64 10.34 1.88 7.4 4.48 2.3 3.7 12.4 pentaceneN2Cl4 cryst 34 2 68 11.98 1.76 18.0 3.42 2.7 3.5 11.0 TTTT cryst 18 2 36 12.75 1.28 8.4 4.31 4.2 6.4 10.0 BTBT cryst 24 2 48 10.98 1.26 7.6 6.02 1.9 3.5 9.5 DNTT cryst 36 2 72 10.45 1.78 16.1 3.90 0.7 2.2 9.7 DATT cryst 48 2 96 10.01 2.38 13.6 3.55 1.0 2.6 10.6 DNBDT cryst 42 2 84 9.98 2.08 5.9 5.39 1.2 3.5 11.0 NDT cryst 24 4 96 10.99 1.22 6.4 3.34 2.1 3.0 10.0 bithiophene cryst 16 2 32 11.77 0.93 9.3 4.96 1.4 1.9 7.9 oligothiophene4 cryst 30 2 60 11.81 1.71 9.2 4.48 0.5 0.8 9.8 oligothiophene6 cryst 44 2 88 11.71 2.52 9.6 3.78 1.1 1.7 10.7 benzotrithiophene cryst 21 4 84 12.46 1.18 8.7 5.04 2.2 3.2 9.6 benzotrithiopheneA cryst 21 4 84 12.15 1.27 15.6 3.87 1.9 3.1 9.0 TTF cryst 14 2 28 13.56 1.15 14.2 4.31 3.6 6.2 10.8 HMTTF cryst 28 4 112 10.21 1.63 6.4 3.22 1.3 3.8 12.1 DBTTF cryst 26 2 52 11.72 1.56 9.9 4.30 1.0 3.2 10.8 benzeneF6 cryst 12 6 72 13.17 0.46 9.6 2.97 3.3 3.2 6.3 benzeneO2 cryst 12 2 24 10.74 0.80 12.9 1.91 -3.3 2.1 -3.0 anthraquinone cryst 24 2 48 9.66 1.23 8.8 3.63 1.7 3.5 12.3 PTCDA cryst 38 2 76 10.09 2.28 8.2 4.14 1.7 3.6 12.1 NDFPh cryst 44 2 88 9.90 1.80 8.8 2.99 0.5 1.5 8.8 NDI cryst 26 2 52 10.08 1.85 7.9 5.11 1.4 2.9 12.3 PDI cryst 40 2 80 9.67 2.61 5.5 5.50 4.1 5.2 14.9 quinacridone cryst 36 2 72 9.56 2.35 8.9 4.65 1.7 2.9 9.7 pentaceneN4O2 cryst 32 2 64 9.92 2.03 8.4 4.33 2.7 4.5 12.7 indigo cryst 30 2 60 9.62 1.70 8.7 3.98 3.2 4.7 12.2 indigoCl2 cryst 30 2 60 11.06 1.86 7.8 5.45 1.8 2.7 15.3 dibenzoindigo cryst 42 2 84 9.60 2.03 8.2 3.44 1.7 2.5 14.5 carbazoleNO2b cryst 24 4 96 9.94 1.19 6.4 3.68 1.0 1.7 11.2 TTAa cryst 36 2 72 11.32 1.95 6.4 4.53 2.9 4.6 12.0 TTAb cryst 36 2 72 11.31 1.98 7.5 5.84 2.5 4.4 10.9 TTPa cryst 34 2 68 11.67 1.92 7.9 5.12 2.7 4.7 13.7 TTPb cryst 34 4 136 11.82 1.87 12.6 2.77 2.4 4.9 9.8 TTPc cryst 34 2 68 11.98 1.86 8.2 5.61 1.9 3.2 10.9 PBBTZ cryst 30 4 120 10.59 1.86 4.8 3.41 1.7 2.7 11.3 thiazolothiazolePh cryst 30 2 60 10.81 1.50 9.4 1.50 1.3 2.4 8.2 benzodithiopheneO2 cryst 18 2 36 11.89 1.26 12.5 4.82 1.5 3.5 13.7 C60 cryst 60 4 240 11.67 1.64 3.8 4.74 10.1 8.0 12.6 triptycene cryst 34 4 136 9.86 1.25 6.7 1.61 4.8 5.2 7.6 BODIPY cryst 21 8 168 9.95 1.07 7.8 4.40 2.6 3.6 9.5 OPV3CN cryst 42 4 168 10.14 1.95 8.8 3.16 2.1 3.9 11.1 spirobifluorene cryst 41 4 164 10.14 1.38 7.6 2.93 2.1 3.0 8.6 spirobidibenzosilole cryst 41 4 164 10.49 1.54 4.4 4.04 3.9 4.2 8.8 triphenyltriazine cryst 39 4 156 9.46 1.64 6.5 2.69 2.2 4.2 10.5 triphenylbenzene cryst 42 4 168 9.61 1.61 6.1 2.32 1.2 2.8 8.0 TPP cryst 34 4 136 10.11 1.32 6.9 2.15 1.2 2.1 7.8