CH2CL2: 37Cl 37Cl Tue Jun 11 16:30:02 2024 33 131 5 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 , 1.0, 1.0,,,,,,,,,,,,, 10000 3.175433417000000E+004 1.00000000E-037 / A 20000 3.142856079000000E+003 1.00000000E-037 / B 30000 2.911308339000000E+003 1.00000000E-037 / C 200 -1.261572600000000E-003 1.00000000E-037 /-DJ 1100 2.486452300000000E-002 1.00000000E-037 /-DJK 2000 -4.659151300000001E-001 1.00000000E-037 /-DK 40100 -1.536083000000000E-004 1.00000000E-037 /-delJ 41000 -4.939580000000002E-003 1.00000000E-037 /-delK 300 7.652200000000008E-010 1.00000000E-037 /HJ 1200 1.030100000000000E-008 1.00000000E-037 /HJK 2100 -1.630399000000000E-006 1.00000000E-037 /HKJ 3000 2.258420000000000E-005 1.00000000E-037 /HK 40200 2.373600000000001E-010 1.00000000E-037 /hJ 41100 3.654000000000000E-009 1.00000000E-037 /hJK 42000 1.389250000000000E-006 1.00000000E-037 /hK 400 0.000000000000000E+000 1.00000000E-037 /LJ 1300 -4.650000000000000E-014 1.00000000E-037 /LJJK 2200 2.410000000000000E-012 1.00000000E-037 /LJK 3100 1.032000000000000E-010 1.00000000E-037 /LKKJ 4000 -1.519600000000000E-009 1.00000000E-037 /LK 40300 0.000000000000000E+000 1.00000000E-037 /lJ 41200 0.000000000000000E+000 1.00000000E-037 /lJK 42100 0.000000000000000E+000 1.00000000E-037 /lKJ 43000 5.440000000000003E-010 1.00000000E-037 /lK 5000 -0.000000000000000E+000 1.00000000E-037 /PK 110010000 -4.934878761143489E+001 1.00000000E+000 /chi.aa*3/2 -220010000 -4.934878761143489E+001 1.00000000E-037 /chi.aa*3/2 110040000 -7.513868301062742E+000 1.00000000E+000 /chi(b-c)/4 -220040000 -7.513868301062742E+000 1.00000000E-037 /chi(b-c)/4 110610000 -4.050000000000000E+001 1.00000000E-037 /chi.ab -220610000 4.050000000000000E+001 1.00000000E-037 /chi.ab 10030000 1.101000000000008E-003 1.00000000E-037 /Mcc {+IMJ -20030000 1.101000000000008E-003 1.00000000E-037 /Mcc {+IMJ ! ! !------------------------------------------------------------------------------- ! Hopefully final fixed chi_ab and M ! ! RMS ERROR= 0.65764 0.65764 ! CH2CL2: 37Cl 37Cl Tue Jun 11 16:23:34 2024 33 131 5 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 a 44 1 0 , , , -2 , 1.0, 1.0,,,,,,,,,,,,, 10000 3.175433417000000E+004 1.00000000E-037 / A 20000 3.142856079000000E+003 1.00000000E-037 / B 30000 2.911308339000000E+003 1.00000000E-037 / C 200 -1.261572600000000E-003 1.00000000E-037 /-DJ 1100 2.486452300000000E-002 1.00000000E-037 /-DJK 2000 -4.659151300000001E-001 1.00000000E-037 /-DK 40100 -1.536083000000000E-004 1.00000000E-037 /-delJ 41000 -4.939580000000002E-003 1.00000000E-037 /-delK 300 7.652200000000008E-010 1.00000000E-037 /HJ 1200 1.030100000000000E-008 1.00000000E-037 /HJK 2100 -1.630399000000000E-006 1.00000000E-037 /HKJ 3000 2.258420000000000E-005 1.00000000E-037 /HK 40200 2.373600000000001E-010 1.00000000E-037 /hJ 41100 3.654000000000000E-009 1.00000000E-037 /hJK 42000 1.389250000000000E-006 1.00000000E-037 /hK 400 0.000000000000000E+000 1.00000000E-037 /LJ 1300 -4.650000000000000E-014 1.00000000E-037 /LJJK 2200 2.410000000000000E-012 1.00000000E-037 /LJK 3100 1.032000000000000E-010 1.00000000E-037 /LKKJ 4000 -1.519600000000000E-009 1.00000000E-037 /LK 40300 0.000000000000000E+000 1.00000000E-037 /lJ 41200 0.000000000000000E+000 1.00000000E-037 /lJK 42100 0.000000000000000E+000 1.00000000E-037 /lKJ 43000 5.440000000000003E-010 1.00000000E-037 /lK 5000 -0.000000000000000E+000 1.00000000E-037 /PK 110010000 -4.934878761143489E+001 1.00000000E+000 /chi.aa*3/2 -220010000 -4.934878761143489E+001 1.00000000E-037 /chi.aa*3/2 110040000 -7.513868301062742E+000 1.00000000E+000 /chi(b-c)/4 -220040000 -7.513868301062742E+000 1.00000000E-037 /chi(b-c)/4 110610000 -4.050000000000000E+001 1.00000000E-037 /chi.ab -220610000 4.050000000000000E+001 1.00000000E-037 /chi.ab 10030000 1.101000000000008E-003 1.00000000E-037 /Mcc {+IMJ -20030000 1.101000000000008E-003 1.00000000E-037 /Mcc {+IMJ ! ! !-------------------------------------------------------------------------------