(H2O)2...H(79Br): W Fri Oct 27 09:18:41 2017 14 35 10 0 0.0000E+000 3.0000E+021 1.0000E+000 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 6.770086264502210E+003 1.00000000E+000 /A 20000 2.077068127748900E+003 1.00000000E+000 /B 30000 1.591880785504030E+003 1.00000000E+000 /C 200 -4.115736538899312E-003 1.00000000E+000 /-DJ 1100 -7.822057315099731E-003 1.00000000E+000 /-DJK 2000 4.879513849503092E-002 1.00000000E+000 /-DK 40100 -1.025465225280940E-003 1.00000000E+000 /-delJ 41000 -1.132039701253290E-002 1.00000000E+000 /-delK 110010000 2.430971586373410E+002 1.00000000E+000 /chi.aa*3/2 110040000 6.443168133745230E+001 1.00000000E+000 /chi(b-c)/4 110610000 -2.874370925191980E+002 1.00000000E+000 /chi.ab 10010000 0.000000000000000E+000 1.00000000E-037 /M.aa {+IMJ 10020000 2.499222820972480E-003 1.00000000E+000 /M.bb {+IMJ -10030000 2.499222820972480E-003 1.00000000E-037 /M.cc {+IMJ ! !------------------------------------------------------------------------------ ! ! Legacy ! (H2O)2...H(79Br): W 14 100 10 0 .1000E-11 .3000E+22 .1000E+01 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 .677008626450221E+04 .99999997E+01 20000 .207706812774890E+04 .99999997E+01 30000 .159188078550403E+04 .99999997E+01 200 -.411573653889931E-02 .99999997E+01 1100 -.782205731509973E-02 .99999997E+01 2000 .487951384950309E-01 .99999997E+01 40100 -.102546522528094E-02 .99999997E+01 41000 -.113203970125329E-01 .99999997E+01 110010000 .243097158637341E+03 .99999997E+01 110040000 .644316813374523E+02 .99999997E+01 110610000 -.287437092519198E+03 .99999997E+01 10010000 .100000000000000E-15 .99999997E-19 10020000 .249922282097248E-02 .99999997E+00 -10030000 .249922282097248E-02 .99999997E+00 ! !------------------------------------------------------------------------------