sys conf na1 nm na V1 EB Up2 freq1 EM1 GR K K0 K0p missing benzene cryst 12 4 48 9.54 0.57 1.0 7.32 2.6 3.0 8.4 naphthalene cryst 18 2 36 9.41 0.83 0.7 4.45 3.3 3.9 8.9 anthracene cryst 24 2 48 9.38 1.10 0.5 5.92 1.8 3.0 10.6 tetracene cryst 30 2 60 9.30 1.40 0.5 5.41 1.5 2.4 10.4 pentacene cryst 36 2 72 9.17 1.72 0.5 5.66 1.4 2.6 12.5 hexacene cryst 42 2 84 9.05 2.05 0.6 5.69 1.4 2.0 11.7 chrysene cryst 30 4 120 9.38 1.35 0.7 5.80 1.9 2.8 9.5 pyrene cryst 26 4 104 9.60 1.10 0.5 4.19 2.1 2.9 9.8 perylene cryst 32 2 64 9.16 1.43 0.5 6.30 1.3 2.6 11.5 IF12b cryst 34 2 68 9.17 1.49 0.6 5.01 3.2 4.4 10.5 IF21a cryst 34 4 136 9.58 1.42 0.6 -2.08 0.7 1.6 7.8 triphenylene cryst 30 4 120 9.25 1.29 0.4 5.32 3.4 3.8 10.7 coronene cryst 36 2 72 9.57 1.51 0.6 5.21 2.1 3.1 12.8 stilbene cryst 26 4 104 9.37 1.16 0.6 4.84 3.3 3.6 10.3 triazine cryst 9 4 36 10.20 0.64 0.7 6.12 1.0 2.5 9.6 phenazine cryst 22 2 44 9.75 1.05 0.5 6.77 2.1 2.9 13.1 carbazole cryst 22 4 88 9.21 1.16 0.5 2.26 1.1 2.8 10.7 ICZb cryst 32 2 64 9.16 1.79 0.5 4.85 1.4 3.1 11.9 TCNQ cryst 20 4 80 12.42 1.35 0.6 5.38 1.1 2.1 12.2 TCNQ-F2 cryst 20 2 40 12.84 1.35 0.5 8.26 0.7 2.2 10.4 TCNQ-F4 cryst 20 4 80 13.90 1.29 0.6 3.56 0.8 1.8 9.7 ICZbCl2c cryst 32 2 64 10.34 1.89 0.5 5.25 2.5 4.0 12.4 pentaceneN2Cl4 cryst 34 2 68 11.88 1.76 0.5 4.15 3.1 4.0 11.7 TTTT cryst 18 2 36 12.70 1.29 0.7 4.78 4.2 6.4 10.0 BTBT cryst 24 2 48 10.91 1.26 0.5 5.54 1.8 3.4 9.8 DNTT cryst 36 2 72 10.39 1.78 0.5 3.25 0.7 2.2 10.1 DATT cryst 48 2 96 9.98 2.38 0.6 4.00 1.1 2.8 11.2 DNBDT cryst 42 2 84 9.94 2.08 0.4 5.92 1.6 4.2 11.7 NDT cryst 24 4 96 10.92 1.22 0.5 3.99 1.8 3.2 10.6 bithiophene cryst 16 2 32 11.72 0.94 0.7 4.63 2.0 2.3 8.4 oligothiophene4 cryst 30 2 60 11.73 1.72 0.5 5.19 1.8 2.4 10.6 oligothiophene6 cryst 44 2 88 11.70 2.52 0.7 4.11 1.6 2.5 10.8 benzotrithiophene cryst 21 4 84 12.45 1.18 0.5 4.47 2.4 3.4 9.6 benzotrithiopheneA cryst 21 4 84 12.11 1.27 0.7 4.15 1.9 3.2 9.4 TTF cryst 14 2 28 13.51 1.15 0.7 4.56 4.0 6.2 11.0 HMTTF cryst 28 4 112 10.18 1.63 0.5 3.40 1.4 4.0 12.3 DBTTF cryst 26 2 52 11.69 1.56 0.6 4.54 1.5 3.9 10.9 benzeneF6 cryst 12 6 72 13.26 0.46 0.5 2.99 3.2 3.1 6.0 benzeneO2 cryst 12 2 24 10.70 0.80 0.8 -5.25 0.3 0.9 8.4 anthraquinone cryst 24 2 48 9.67 1.23 0.6 4.99 1.8 3.7 12.0 PTCDA cryst 38 2 76 10.10 2.28 0.5 3.07 1.7 3.3 8.7 NDFPh cryst 44 2 88 9.86 1.80 0.6 3.83 1.1 2.5 9.2 NDI cryst 26 2 52 10.07 1.86 0.4 5.40 1.4 2.9 12.9 PDI cryst 40 2 80 9.64 2.62 0.6 5.07 4.0 5.3 14.8 quinacridone cryst 36 2 72 9.47 2.36 0.7 5.70 2.0 3.5 11.0 pentaceneN4O2 cryst 32 2 64 9.92 2.03 0.6 4.83 2.5 4.4 12.8 indigo cryst 30 2 60 9.59 1.70 0.6 5.69 3.2 5.3 12.7 indigoCl2 cryst 30 2 60 11.01 1.86 0.8 5.30 2.0 3.0 15.8 dibenzoindigo cryst 42 2 84 9.59 2.03 0.4 4.91 2.1 3.3 15.4 carbazoleNO2b cryst 24 4 96 9.96 1.19 0.5 -1.51 1.0 1.8 10.6 TTAa cryst 36 2 72 11.27 1.95 0.7 5.09 3.1 4.9 12.3 TTAb cryst 36 2 72 11.25 1.98 0.5 6.09 2.6 4.5 10.9 TTPa cryst 34 2 68 11.67 1.92 0.5 5.39 2.9 5.0 13.6 TTPb cryst 34 4 136 11.83 1.87 0.6 2.55 2.3 4.6 9.6 TTPc cryst 34 2 68 11.92 1.86 0.7 5.96 2.3 3.6 11.3 PBBTZ cryst 30 4 120 10.57 1.86 0.5 3.30 1.8 2.7 11.5 thiazolothiazolePh cryst 30 2 60 10.70 1.50 0.4 2.95 1.3 2.5 9.5 benzodithiopheneO2 cryst 18 2 36 11.82 1.26 0.7 5.47 2.0 3.9 14.3 C60 cryst 60 4 240 11.70 1.64 0.6 4.96 10.1 8.0 12.6 triptycene cryst 34 4 136 9.77 1.25 0.5 1.47 5.1 5.5 8.5 BODIPY cryst 21 8 168 9.97 1.07 0.5 5.03 3.4 4.2 10.0 OPV3CN cryst 42 4 168 10.12 1.95 0.6 2.92 1.7 3.6 10.8 spirobifluorene cryst 41 4 164 10.11 1.38 0.5 3.51 2.8 3.6 9.3 spirobidibenzosilole cryst 41 4 164 10.43 1.55 0.5 4.51 4.4 4.7 9.4 triphenyltriazine cryst 39 4 156 9.43 1.64 0.5 2.84 2.4 4.3 10.7 triphenylbenzene cryst 42 4 168 9.55 1.61 0.6 2.05 1.2 3.0 8.3 TPP cryst 34 4 136 10.07 1.32 0.5 1.66 -0.6 -3.5 26.0