gap    HOMO dHOMO    LUMO dLUMO   sys
 3.83  -5.77 (1.34)  -1.93 (1.46)  hexacene
 4.06  -6.87 (0.93)  -2.82 (2.07)  pentaceneN2Cl4
 4.34  -6.01 (1.52)  -1.67 (1.64)  pentacene
 4.50  -6.49 (1.03)  -1.99 (1.11)  dibenzoindigo
 4.68  -7.54 (1.71)  -2.86 (1.81)  PDI
 4.70  -7.87 (1.71)  -3.16 (1.82)  PTCDA
 4.73  -9.25 (1.28)  -4.52 (3.26)  TCNQ-F4
 4.76  -7.05 (0.93)  -2.29 (1.68)  indigoCl2
 4.80  -6.26 (0.52)  -1.47 (0.62)  DATT
 4.83  -9.10 (1.54)  -4.27 (3.11)  TCNQ-F2
 4.86  -6.82 (1.11)  -1.96 (1.73)  indigo
 4.88  -8.90 (2.00)  -4.02 (3.25)  TCNQ
 4.89  -7.55 (0.00)  -2.66 (0.00)  C60
 5.01  -6.33 (1.64)  -1.31 (1.70)  tetracene
 5.03  -6.29 (0.71)  -1.26 (0.61)  oligothiophene6
 5.19  -6.46 (1.39)  -1.27 (1.67)  PBBTZ
 5.27  -6.42 (1.81)  -1.15 (1.45)  perylene
 5.33  -7.50 (1.50)  -2.17 (3.89)  BODIPY
 5.39  -6.83 (1.11)  -1.43 (1.23)  quinacridone
 5.48  -6.49 (1.18)  -1.01 (0.96)  oligothiophene4
 5.58  -7.12 (0.14)  -1.54 (1.08)  TTPa
 5.61  -6.61 (0.78)  -1.00 (0.81)  DNTT
 5.66  -6.71 (0.57)  -1.06 (0.81)  DNBDT
 5.66  -7.40 (0.97)  -1.73 (0.80)  OPV3CN
 5.71  -7.19 (0.06)  -1.47 (1.18)  TTPc
 5.75  -7.14 (0.25)  -1.40 (1.31)  TTPb
 5.83  -6.78 (0.25)  -0.95 (0.64)  TTAa
 5.91  -6.70 (0.54)  -0.79 (0.77)  TTAb
 5.96  -6.78 (1.28)  -0.82 (1.31)  anthracene
 5.97  -6.60 (0.86)  -0.64 (0.48)  NDFPh
 6.06  -6.73 (0.45)  -0.66 (1.34)  ICZbCl2c
 6.07  -8.81 (0.72)  -2.74 (1.90)  NDI
 6.10  -6.06 (1.92)   0.03 (0.39)  DBTTF
 6.10  -5.67 (1.75)   0.43 (0.84)  HMTTF
 6.11  -7.72 (0.70)  -1.61 (1.80)  phenazine
 6.12  -7.20 (1.43)  -1.08 (1.08)  thiazolothiazolePh
 6.17  -6.84 (0.95)  -0.67 (0.84)  pyrene
 6.19  -5.89 (2.16)   0.30 (0.42)  TTF
 6.21  -7.68 (0.26)  -1.47 (1.44)  carbazoleNO2b
 6.21  -6.49 (0.34)  -0.28 (1.37)  ICZb
 6.24  -6.89 (0.00)  -0.64 (0.00)  coronene
 6.39  -8.78 (0.02)  -2.39 (0.42)  pentaceneN4O2
 6.42  -8.64 (0.40)  -2.22 (1.99)  benzodithiopheneO2
 6.62  -7.14 (1.44)  -0.52 (1.36)  stilbene
 6.63  -6.99 (0.44)  -0.36 (1.46)  TTTT
 6.64  -6.90 (1.20)  -0.26 (0.77)  IF12b
 6.68  -7.09 (0.51)  -0.41 (0.36)  chrysene
 6.69  -7.08 (0.52)  -0.38 (0.94)  BTBT
 6.72  -6.93 (1.22)  -0.20 (0.66)  IF21a
 6.82  -7.13 (1.31)  -0.31 (1.70)  bithiophene
 6.91  -9.39 (0.34)  -2.48 (2.79)  benzeneO2
 6.94  -7.22 (0.06)  -0.28 (0.30)  NDT
 7.05  -7.30 (0.00)  -0.25 (0.62)  benzotrithiopheneA
 7.12  -8.98 (0.00)  -1.87 (1.15)  anthraquinone
 7.21  -7.45 (0.13)  -0.24 (0.00)  spirobidibenzosilole
 7.22  -7.09 (0.25)   0.12 (1.03)  carbazole
 7.31  -7.28 (0.29)   0.03 (0.00)  spirobifluorene
 7.35  -7.45 (0.77)  -0.10 (0.76)  naphthalene
 7.36  -7.45 (0.00)  -0.09 (0.00)  triphenylene
 7.36  -7.21 (0.00)   0.15 (0.00)  benzotrithiophene
 7.44  -8.36 (0.00)  -0.92 (0.00)  triphenyltriazine
 7.68  -7.33 (1.16)   0.36 (0.00)  TPP
 7.68  -7.66 (0.00)   0.02 (0.00)  triphenylbenzene
 8.21  -7.51 (0.82)   0.70 (0.00)  triptycene
 9.08  -9.53 (0.00)  -0.45 (0.00)  triazine
 9.38  -9.26 (0.00)   0.12 (0.00)  benzeneF6
 9.45  -8.52 (0.00)   0.93 (0.00)  benzene