1,2-dichlorobenzene, 37Cl1.35Cl2.D3 Sun Mar 22 19:01:58 2020 14 187 3 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 a 44 1 0 , , , -1 , 1.0, 1.0, , , 0 , , 10000 1.855282120984744E+003 1.00000000E+000 /A 20000 1.406287765699481E+003 1.00000000E+000 /B 30000 7.998266356225795E+002 1.00000000E+000 /C 200 -4.188705227265505E-005 1.00000000E+000 /-DJ 1100 2.732000000000000E-005 1.00000000E-037 /-DJK 2000 -4.080000000000002E-004 1.00000000E-037 /-DK 40100 -1.691241083626801E-005 1.00000000E+000 /-dJ 41000 -1.581000000000000E-005 1.00000000E-037 /-dK 110010000 -5.880280838802047E+001 1.00000000E+000 /chi.aa*3/2 110040000 -3.114540429082688E+000 1.00000000E+000 /chi(b-c)/4 110610000 -3.681000000000000E+001 1.00000000E-037 /chi.ab 220010000 -4.763802069374406E+001 1.00000000E+000 /chi.aa*3/2 220040000 -8.446144593091676E+000 1.00000000E+000 /chi(b-c)/4 220610000 5.503000000000000E+001 1.00000000E-037 /chi.ab ! !------------------------------------------------------------------------------- ! Diagonal Chis and DJ+dJ fitted ! ! RMS ERROR= 0.83198 0.83198 ! 1,2-dichlorobenzene, 37Cl1.35Cl2.D3 Sun Mar 22 19:01:58 2020 14 187 3 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 a 44 1 0 , , , -1 , 1.0, 1.0, , , 0 , , 10000 1.855282120984744E+003 1.00000000E+000 /A 20000 1.406287765699481E+003 1.00000000E+000 /B 30000 7.998266356225795E+002 1.00000000E+000 /C 200 -4.188705227265505E-005 1.00000000E+000 /-DJ 1100 2.732000000000000E-005 1.00000000E-037 /-DJK 2000 -4.080000000000002E-004 1.00000000E-037 /-DK 40100 -1.691241083626801E-005 1.00000000E+000 /-dJ 41000 -1.581000000000000E-005 1.00000000E-037 /-dK 110010000 -5.880280838802047E+001 1.00000000E+000 /chi.aa*3/2 110040000 -3.114540429082688E+000 1.00000000E+000 /chi(b-c)/4 110610000 -3.681000000000000E+001 1.00000000E-037 /chi.ab 220010000 -4.763802069374406E+001 1.00000000E+000 /chi.aa*3/2 220040000 -8.446144593091676E+000 1.00000000E+000 /chi(b-c)/4 220610000 5.503000000000000E+001 1.00000000E-037 /chi.ab ! !-------------------------------------------------------------------------------