Deuterated bromoform, 3x79Br (atom in ac plane) Thu Aug 23 09:04:44 2018 34 185 5 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 s -444 -1 0 , ,, -3 , 1. , 1. ,,,,,,,,,,,,,, 10000 1.239555805792128E+003 1.00000000E+002 / A -20000 1.239555805792128E+003 1.00000000E-037 / B 30000 6.337044457470954E+002 1.00000000E+002 / C 200 -2.473000000000203E-004 1.00000000E-037 /-DJ 1100 4.118000000000000E-004 1.00000000E-037 /-DJK 2000 -1.870000000000060E-004 1.00000000E-037 /-DK 40100 1.000000000000000E-025 1.00000000E-037 / d1 50000 1.000000000000000E-025 1.00000000E-037 / d2 110030000 -3.488563151095165E+002 1.00000000E+002 /chi.cc*3/2 -220030000 -3.488563151095165E+002 1.00000000E-037 /chi.cc*3/2 -330030000 -3.488563151095165E+002 1.00000000E-037 110040000 -2.140176903156238E+002 1.00000000E+002 /chi(b-a)/4 -220040000 1.070088451578121E+002 1.00000000E-037 /chi(a-b)/8 -330040000 1.070088451578121E+002 1.00000000E-037 -220610000 -3.706895150605369E+002 1.00000000E-037 /chi.ab -330610000 3.706895150605369E+002 1.00000000E-037 110410000 -2.574820464392975E+002 1.00000000E+002 /chi.ac -220410000 1.287410232196490E+002 1.00000000E-037 /chi.ac -330410000 1.287410232196490E+002 1.00000000E-037 -220210000 -2.229859934953437E+002 1.00000000E-037 /chi.bc -330210000 2.229859934953437E+002 1.00000000E-037 10010000 1.000000000000000E-020 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 1.960124259855336E-003 1.00000000E+000 /M.bb {+IMJ -20010000 1.470093194891501E-003 1.00000000E-037 /M.aa {+IMJ -20020000 4.900310649638338E-004 1.00000000E-037 /M.bb {+IMJ -30010000 1.470093194891501E-003 1.00000000E-037 /M.aa {+IMJ -30020000 4.900310649638338E-004 1.00000000E-037 /M.bb {+IMJ 10030000 2.561621352204700E-003 1.00000000E+000 /M.cc {+IMJ -20030000 2.561621352204700E-003 1.00000000E-037 /M.cc {+IMJ -30030000 2.561621352204700E-003 1.00000000E-037 /M.cc {+IMJ ! !------------------------------------------------------------------------------- !-------------------------------------------------------------------------------