Deuterated bromoform, 2x79Br (81Br atom in ac plane) Thu Aug 23 09:07:16 2018 34 541 5 0 0.0000E+000 3.0000E+000 1.0000E+000 1.0000000000 s -444 -1 0 , , , -3 , 1. , 1. , , , 0,,,,,,,,,,, 10000 1.239544057398747E+003 1.00000000E+002 / A 20000 1.219594110189420E+003 1.00000000E+002 / B 30000 6.284038485538075E+002 1.00000000E+002 / C 200 -2.435000000000000E-004 1.00000000E-037 /-DJ 1100 4.053000000000003E-004 1.00000000E-037 /-DJK 2000 -1.841000000000060E-004 1.00000000E-037 /-DK 40100 1.961000000000000E-006 1.00000000E-037 /d1 50000 4.230000000000001E-007 1.00000000E-037 /d2 110030000 -2.916809463633478E+002 1.00000000E+002 /chi.cc*3/2 220030000 -3.487021163156818E+002 1.00000000E+002 /chi.cc*3/2 -330030000 -3.487021163156818E+002 1.00000000E-037 110040000 -1.788341270995221E+002 1.00000000E+002 /chi(b-a)/4 220040000 1.070326981050836E+002 1.00000000E+002 /chi(a-b)/8 -330040000 1.070326981050836E+002 1.00000000E-037 220610000 -3.706032850374295E+002 1.00000000E+000 /chi.ab -330610000 3.706032850374295E+002 1.00000000E-037 110410000 -2.148814742403439E+002 1.00000000E+002 /chi.ac 220410000 1.287857898625866E+002 1.00000000E+002 /chi.ac -330410000 1.287857898625866E+002 1.00000000E-037 220210000 -2.231111549677219E+002 1.00000000E+000 /chi.bc -330210000 2.231111549677219E+002 1.00000000E-037 10010000 1.000000000000000E-021 1.00000000E-037 /M.aa {+IMJ -20010000 2.500000000000001E-021 1.00000000E-037 /M.aa {+IMJ -20020000 7.500000000000014E-021 1.00000000E-037 /M.bb {+IMJ -30010000 2.500000000000001E-021 1.00000000E-037 /M.aa {+IMJ -30020000 7.500000000000014E-021 1.00000000E-037 /M.bb {+IMJ 10020000 2.114965277548546E-003 1.00000000E+000 /M.bb {+IMJ -20010000 1.586223958161406E-003 1.00000000E-037 /M.aa {+IMJ -20020000 5.287413193871372E-004 1.00000000E-037 /M.bb {+IMJ -30010000 1.586223958161406E-003 1.00000000E-037 /M.aa {+IMJ -30020000 5.287413193871372E-004 1.00000000E-037 /M.bb {+IMJ 10030000 1.621174223597266E-003 1.00000000E+000 /M.cc {+IMJ -20030000 1.621174223597266E-003 1.00000000E-037 /M.cc {+IMJ -30030000 1.621174223597266E-003 1.00000000E-037 /M.cc {+IMJ ! !------------------------------------------------------------------------------- !-------------------------------------------------------------------------------