1,2-dichlorobenzene, 35Cl1.37Cl2.D3 Tue Mar 24 11:03:23 2020 14 176 3 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 a 44 1 0 , , , -1 , 1.0, 1.0, , , 0 , , 10000 1.852312105115707E+003 1.00000000E+003 /A 20000 1.408832237375135E+003 1.00000000E+003 /B 30000 8.000955488439400E+002 1.00000000E+002 /C 200 -4.075206435321353E-005 1.00000000E+000 /-DJ 1100 2.859000000000000E-005 1.00000000E-037 /-DJK 2000 -4.059000000000002E-004 1.00000000E-037 /-DK 40100 -1.629686672380561E-005 1.00000000E+000 /-dJ 41000 -1.562000000000000E-005 1.00000000E-037 /-dK 110010000 -5.913771844713099E+001 1.00000000E+000 /chi.aa*3/2 110040000 -6.526411343777669E+000 1.00000000E+000 /chi(b-c)/4 110610000 -5.226000000000000E+001 1.00000000E-037 /chi.ab 220010000 -5.061926132428832E+001 1.00000000E+000 /chi.aa*3/2 220040000 -4.476070480954233E+000 1.00000000E+000 /chi(b-c)/4 220610000 4.020000000000000E+001 1.00000000E-037 /chi.ab ! !------------------------------------------------------------------------------- ! With diagonal chis + DJ + dJ ! ! RMS ERROR= 0.86343 0.86343 ! 1,2-dichlorobenzene, 35Cl1.37Cl2.D3 Tue Mar 24 11:03:23 2020 14 176 3 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 a 44 1 0 , , , -1 , 1.0, 1.0, , , 0 , , 10000 1.852312105115707E+003 1.00000000E+003 /A 20000 1.408832237375135E+003 1.00000000E+003 /B 30000 8.000955488439400E+002 1.00000000E+002 /C 200 -4.075206435321353E-005 1.00000000E+000 /-DJ 1100 2.859000000000000E-005 1.00000000E-037 /-DJK 2000 -4.059000000000002E-004 1.00000000E-037 /-DK 40100 -1.629686672380561E-005 1.00000000E+000 /-dJ 41000 -1.562000000000000E-005 1.00000000E-037 /-dK 110010000 -5.913771844713099E+001 1.00000000E+000 /chi.aa*3/2 110040000 -6.526411343777669E+000 1.00000000E+000 /chi(b-c)/4 110610000 -5.226000000000000E+001 1.00000000E-037 /chi.ab 220010000 -5.061926132428832E+001 1.00000000E+000 /chi.aa*3/2 220040000 -4.476070480954233E+000 1.00000000E+000 /chi(b-c)/4 220610000 4.020000000000000E+001 1.00000000E-037 /chi.ab ! !-------------------------------------------------------------------------------