gap    HOMO dHOMO    LUMO dLUMO   sys
 0.80  -4.25 (0.98)  -3.46 (1.11)  hexacene
 0.85  -5.11 (0.67)  -4.25 (1.65)  pentaceneN2Cl4
 1.08  -4.73 (0.86)  -3.65 (0.93)  dibenzoindigo
 1.14  -4.41 (1.12)  -3.27 (1.27)  pentacene
 1.17  -5.17 (0.71)  -4.00 (1.45)  indigoCl2
 1.26  -4.95 (0.86)  -3.69 (1.49)  indigo
 1.34  -7.24 (0.54)  -5.90 (2.69)  TCNQ-F4
 1.40  -7.13 (0.84)  -5.73 (2.55)  TCNQ-F2
 1.43  -6.99 (1.32)  -5.56 (2.62)  TCNQ
 1.47  -5.86 (0.51)  -4.39 (1.38)  PDI
 1.48  -4.58 (0.40)  -3.09 (0.47)  DATT
 1.49  -6.19 (0.68)  -4.71 (1.34)  PTCDA
 1.54  -4.45 (0.58)  -2.91 (0.50)  oligothiophene6
 1.62  -4.63 (1.30)  -3.01 (1.45)  tetracene
 1.63  -5.80 (0.25)  -4.17 (0.25)  pentaceneN4O2
 1.65  -5.82 (0.00)  -4.17 (0.00)  C60
 1.67  -4.64 (1.05)  -2.97 (1.37)  PBBTZ
 1.72  -6.32 (0.16)  -4.60 (2.55)  benzeneO2
 1.85  -5.01 (0.55)  -3.16 (0.98)  quinacridone
 1.88  -4.72 (1.45)  -2.84 (1.24)  perylene
 1.88  -4.59 (0.93)  -2.71 (0.77)  oligothiophene4
 1.95  -3.65 (1.49)  -1.70 (0.88)  HMTTF
 1.97  -3.87 (1.86)  -1.89 (0.51)  TTF
 2.00  -4.12 (1.75)  -2.12 (0.56)  DBTTF
 2.00  -5.75 (0.79)  -3.75 (3.16)  BODIPY
 2.03  -5.52 (0.77)  -3.49 (0.60)  OPV3CN
 2.09  -5.26 (0.07)  -3.17 (0.93)  TTPa
 2.10  -4.81 (0.61)  -2.71 (0.62)  DNTT
 2.13  -5.24 (0.14)  -3.11 (1.00)  TTPc
 2.13  -4.90 (0.44)  -2.76 (0.61)  DNBDT
 2.14  -6.58 (0.16)  -4.44 (1.51)  NDI
 2.16  -5.95 (0.28)  -3.79 (1.06)  anthraquinone
 2.16  -5.20 (0.29)  -3.04 (1.04)  TTPb
 2.18  -6.21 (0.10)  -4.03 (1.72)  benzodithiopheneO2
 2.28  -5.69 (0.28)  -3.41 (1.36)  carbazoleNO2b
 2.30  -4.94 (0.21)  -2.64 (0.57)  TTAa
 2.32  -5.72 (0.02)  -3.40 (1.66)  phenazine
 2.32  -4.95 (1.19)  -2.63 (1.25)  anthracene
 2.36  -5.26 (1.14)  -2.90 (0.88)  thiazolothiazolePh
 2.37  -4.81 (0.63)  -2.44 (0.37)  NDFPh
 2.39  -4.86 (0.51)  -2.47 (0.56)  TTAb
 2.41  -4.78 (0.52)  -2.38 (1.05)  ICZbCl2c
 2.54  -4.57 (0.42)  -2.02 (1.08)  ICZb
 2.63  -5.07 (0.82)  -2.44 (0.76)  pyrene
 2.76  -5.19 (1.17)  -2.43 (1.19)  stilbene
 2.85  -4.98 (0.40)  -2.13 (1.04)  TTTT
 2.87  -5.04 (1.14)  -2.17 (1.42)  bithiophene
 2.87  -5.21 (0.00)  -2.34 (0.00)  coronene
 2.95  -5.14 (0.46)  -2.19 (0.74)  BTBT
 2.96  -5.23 (0.47)  -2.27 (0.36)  chrysene
 2.98  -5.05 (0.89)  -2.07 (0.58)  IF12b
 3.02  -5.07 (0.91)  -2.04 (0.52)  IF21a
 3.16  -5.26 (0.07)  -2.10 (0.23)  NDT
 3.18  -5.28 (0.00)  -2.10 (0.46)  benzotrithiopheneA
 3.25  -6.06 (0.00)  -2.81 (0.00)  triphenyltriazine
 3.32  -5.07 (0.30)  -1.75 (0.84)  carbazole
 3.33  -5.48 (0.10)  -2.16 (0.00)  spirobidibenzosilole
 3.40  -5.45 (0.73)  -2.05 (0.75)  naphthalene
 3.43  -5.32 (0.26)  -1.89 (0.00)  spirobifluorene
 3.50  -5.24 (0.00)  -1.74 (0.00)  benzotrithiophene
 3.56  -5.54 (0.00)  -1.98 (0.00)  triphenylene
 3.59  -5.22 (1.07)  -1.63 (0.00)  TPP
 3.66  -5.62 (0.00)  -1.96 (0.00)  triphenylbenzene
 3.83  -6.55 (0.00)  -2.72 (0.00)  triazine
 4.12  -5.45 (0.69)  -1.33 (0.00)  triptycene
 4.54  -6.70 (0.00)  -2.16 (0.30)  benzeneF6
 5.13  -6.29 (0.00)  -1.16 (0.00)  benzene