1,2-dichlorobenzene: 37Cl.35Cl Wed Apr 01 19:29:29 2020 21 930 11 0 0.0000E+000 3.0000E+000 1.0000E+000 1.0000000000 'a' 44 2 , 0 , 27, , -1 , , , -1 , , 0 , 'a' 11 1 , 0 , 130, , 1 , , , , , , 10099 1.895792857113018E+003 1.00000000E+000 /A 20099 1.414186289737052E+003 1.00000000E+000 /B 30099 8.098517500156560E+002 1.00000000E+000 /C 299 -4.156747588856916E-005 1.00000000E+000 /-DJ 1199 1.971686801562892E-005 1.00000000E+000 /-DJK 2099 -4.493838487923180E-004 1.00000000E+000 /-DK 40199 -1.415507743437511E-005 1.00000000E+000 /-dJ 41099 -2.019522323471127E-005 1.00000000E+000 /-dK 399 5.109288870323088E-012 1.00000000E+000 /HJ 1299 -4.780000000000005E-011 1.00000000E-037 /HJK 2199 1.086978513211910E-010 1.00000000E+000 /HKJ 3099 4.583000000000000E-012 1.00000000E-037 /HK 40299 2.603000000000000E-012 1.00000000E-037 /hJ 41199 -1.190772887939429E-011 1.00000000E+000 /hJK 42099 1.697061561818691E-010 1.00000000E+000 /hK 110010000 -5.446625743388056E+001 1.00000000E+000 /chi.aa*3/2 110040000 -3.837958467488518E+000 1.00000000E+000 /chi(b-c)/4 110610000 -3.872993514072505E+001 5.00000000E+000 /chi.ab 220010000 -5.387678883663253E+001 1.00000000E+000 /chi.aa*3/2 220040000 -7.406465637215494E+000 1.00000000E+000 /chi(b-c)/4 220610000 5.367862319016356E+001 5.00000000E+000 /chi.ab ! !------------------------------------------------------------------------------- ! With indeterminable sextics assumed from the parent ! ! RMS ERROR= 0.67634 0.67634 ! 1,2-dichlorobenzene: 37Cl.35Cl Wed Apr 01 19:29:29 2020 21 930 11 0 0.0000E+000 3.0000E+000 1.0000E+000 1.0000000000 'a' 44 2 , 0 , 27, , -1 , , , -1 , , 0 , 'a' 11 1 , 0 , 130, , 1 , , , , , , 10099 1.895792857113018E+003 1.00000000E+000 /A 20099 1.414186289737052E+003 1.00000000E+000 /B 30099 8.098517500156560E+002 1.00000000E+000 /C 299 -4.156747588856916E-005 1.00000000E+000 /-DJ 1199 1.971686801562892E-005 1.00000000E+000 /-DJK 2099 -4.493838487923180E-004 1.00000000E+000 /-DK 40199 -1.415507743437511E-005 1.00000000E+000 /-dJ 41099 -2.019522323471127E-005 1.00000000E+000 /-dK 399 5.109288870323088E-012 1.00000000E+000 /HJ 1299 -4.780000000000005E-011 1.00000000E-037 /HJK 2199 1.086978513211910E-010 1.00000000E+000 /HKJ 3099 4.583000000000000E-012 1.00000000E-037 /HK 40299 2.603000000000000E-012 1.00000000E-037 /hJ 41199 -1.190772887939429E-011 1.00000000E+000 /hJK 42099 1.697061561818691E-010 1.00000000E+000 /hK 110010000 -5.446625743388056E+001 1.00000000E+000 /chi.aa*3/2 110040000 -3.837958467488518E+000 1.00000000E+000 /chi(b-c)/4 110610000 -3.872993514072505E+001 5.00000000E+000 /chi.ab 220010000 -5.387678883663253E+001 1.00000000E+000 /chi.aa*3/2 220040000 -7.406465637215494E+000 1.00000000E+000 /chi(b-c)/4 220610000 5.367862319016356E+001 5.00000000E+000 /chi.ab ! !-------------------------------------------------------------------------------