sys conf na dE freq missing benzene molec 12 naphthalene molec 18 anthracene molec 24 tetracene molec 30 pentacene molec 36 hexacene molec 42 chrysene molec 30 pyrene molec 26 perylene molec 32 IF12b molec 34 IF21a molec 34 triphenylene molec 30 coronene molec 36 stilbene molec 26 -1.52 triazine molec 9 phenazine molec 22 carbazole molec 22 ICZb molec 32 TCNQ molec 20 TCNQ-F2 molec 20 TCNQ-F4 molec 20 ICZbCl2c molec 32 pentaceneN2Cl4 molec 34 TTTT molec 18 BTBT molec 24 DNTT molec 36 DATT molec 48 DNBDT molec 42 NDT molec 24 bithiophene molec 16 -3.92 oligothiophene4 molec 30 -3.82,-3.37,-1.65 oligothiophene6 molec 44 -3.63,-3.61,-2.83,-2.08,-0.99 benzotrithiophene molec 21 benzotrithiopheneA molec 21 TTF molec 14 -3.51 HMTTF molec 28 -13.02,-13.02,-0.53 DBTTF molec 26 -2.30 benzeneF6 molec 12 benzeneO2 molec 12 anthraquinone molec 24 PTCDA molec 38 NDFPh molec 44 NDI molec 26 PDI molec 40 quinacridone molec 36 pentaceneN4O2 molec 32 indigo molec 30 indigoCl2 molec 30 dibenzoindigo molec 42 carbazoleNO2b molec 24 TTAa molec 36 TTAb molec 36 TTPa molec 34 TTPb molec 34 TTPc molec 34 PBBTZ molec 30 thiazolothiazolePh molec 30 benzodithiopheneO2 molec 18 C60 molec 60 triptycene molec 34 BODIPY molec 21 OPV3CN molec 42 -6.82,-2.37 spirobifluorene molec 41 spirobidibenzosilole molec 41 triphenyltriazine molec 39 triphenylbenzene molec 42 TPP molec 34