(H2O)2...H(79Br): S Fri Oct 27 09:17:12 2017 14 43 10 0 0.0000E+000 3.0000E+021 1.0000E+000 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 6.768770214895890E+003 1.00000000E+000 /A 20000 2.076833713172730E+003 1.00000000E+000 /B 30000 1.592113859069680E+003 1.00000000E+000 /C 200 -4.140255697132990E-003 1.00000000E+000 /-DJ 1100 -7.505453325780771E-003 1.00000000E+000 /-DJK 2000 5.886567352892200E-002 1.00000000E+000 /-DK 40100 -1.031503849037890E-003 1.00000000E+000 /-delJ 41000 -1.196759914255380E-002 1.00000000E+000 /-delK 110010000 2.429266054301410E+002 1.00000000E+000 /chi.aa*3/2 110040000 6.445011784841410E+001 1.00000000E+000 /chi(b-c)/4 110610000 2.872797456544460E+002 1.00000000E+000 /chi.ab 10010000 0.000000000000000E+000 1.00000000E-037 /M.aa {+IMJ 10020000 1.911956961236080E-003 1.00000000E+000 /M.bb {+IMJ -10030000 1.911956961236080E-003 1.00000000E-037 /M.cc {+IMJ ! !------------------------------------------------------------------------------ ! ! Legacy ! (H2O)2...H(79Br): S 14 100 10 0 .1000E-11 .3000E+22 .1000E+01 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 .676877021489589E+04 .99999997E+01 20000 .207683371317273E+04 .99999997E+01 30000 .159211385906968E+04 .99999997E+01 200 -.414025569713299E-02 .99999997E+01 1100 -.750545332578077E-02 .99999997E+01 2000 .588656735289220E-01 .99999997E+01 40100 -.103150384903789E-02 .99999997E+01 41000 -.119675991425538E-01 .99999997E+01 110010000 .242926605430141E+03 .99999997E+01 110040000 .644501178484141E+02 .99999997E+01 110610000 .287279745654446E+03 .99999997E+01 10010000 .100000000000000E-15 .99999997E-19 10020000 .191195696123608E-02 .99999997E+00 -10030000 .191195696123608E-02 .99999997E+00 ! !------------------------------------------------------------------------------