Deuterated bromoform, 3x81Br (atom in ac plane) Thu Aug 23 09:11:27 2018 38 201 4 0 0.0000E+000 3.0000E+000 1.0000E+000 1.0000000000 s -444 -1 0 , ,, -3 , 1. , 1. ,,,,,,,,,,,,,, 10000 1.209604952705578E+003 1.00000000E+002 / A -20000 1.209604952705578E+003 1.00000000E-037 / B 30000 6.181274687553225E+002 1.00000000E+002 / C 200 -2.359000000000000E-004 1.00000000E-037 /-DJ 1100 3.928000000000001E-004 1.00000000E-037 /-DJK 2000 -1.784000000000000E-004 1.00000000E-037 /-DK 40100 1.000000000000000E-025 1.00000000E-037 / d1 50000 1.000000000000000E-025 1.00000000E-037 / d2 300 1.000000000000000E-025 1.00000000E-037 / HJ 1200 1.000000000000000E-025 1.00000000E-037 / HJJK 2100 1.000000000000000E-025 1.00000000E-037 / HJKK 3000 1.000000000000000E-025 1.00000000E-037 / HK 110030000 -2.914212884834496E+002 1.00000000E+002 /chi.cc*3/2 -220030000 -2.914212884834496E+002 1.00000000E-037 /chi.cc*3/2 -330030000 -2.914212884834496E+002 1.00000000E-037 110040000 -1.787891167299168E+002 1.00000000E+002 /chi(b-a)/4 -220040000 8.939455836495839E+001 1.00000000E-037 /chi(a-b)/8 -330040000 8.939455836495839E+001 1.00000000E-037 -220610000 -3.096718340148874E+002 1.00000000E-037 /chi.ab -330610000 3.096718340148874E+002 1.00000000E-037 110410000 -2.151011264720945E+002 1.00000000E+002 /chi.ac -220410000 1.075505632360470E+002 1.00000000E-037 /chi.ac -330410000 1.075505632360470E+002 1.00000000E-037 -220210000 -1.862830399239001E+002 1.00000000E-037 /chi.bc -330210000 1.862830399239001E+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 2.255977647562320E-003 1.00000000E+000 /M.bb {+IMJ -20010000 1.691983235671739E-003 1.00000000E-037 /M.aa {+IMJ -20020000 5.639944118905802E-004 1.00000000E-037 /M.bb {+IMJ -30010000 1.691983235671739E-003 1.00000000E-037 /M.aa {+IMJ -30020000 5.639944118905802E-004 1.00000000E-037 /M.bb {+IMJ 10030000 1.875137538814036E-003 1.00000000E+000 /M.cc {+IMJ -20030000 1.875137538814036E-003 1.00000000E-037 /M.cc {+IMJ -30030000 1.875137538814036E-003 1.00000000E-037 /M.cc {+IMJ ! !------------------------------------------------------------------------------- !-----------------------------------------------------------------------