(H2O)2...H79Br: W' Fri Oct 27 09:19:16 2017 14 35 10 0 0.0000E+000 3.0000E+021 1.0000E+000 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 6.770402544566850E+003 1.00000000E+000 /A 20000 2.077070776839700E+003 1.00000000E+000 /B 30000 1.591878654323470E+003 1.00000000E+000 /C 200 -4.102398073773821E-003 1.00000000E+000 /-DJ 1100 -7.844751872765664E-003 1.00000000E+000 /-DJK 2000 -5.069277473467140E-002 1.00000000E+000 /-DK 40100 -1.032966580694580E-003 1.00000000E+000 /-delJ 41000 -1.207463486611670E-002 1.00000000E+000 /-delK 110010000 2.430865129033060E+002 1.00000000E+000 /chi.aa*3/2 110040000 6.443295847111040E+001 1.00000000E+000 /chi(b-c)/4 110610000 -2.872649517313820E+002 1.00000000E+000 /chi.ab 10010000 0.000000000000000E+000 1.00000000E-037 /M.aa {+IMJ 10020000 1.377861557488010E-003 1.00000000E+000 /M.bb {+IMJ -10030000 1.377861557488010E-003 1.00000000E-037 /M.cc {+IMJ ! !------------------------------------------------------------------------------ ! ! Legacy ! (H2O)2...H79Br: W' 14 37 10 0 .1000E-11 .3000E+22 .1000E+01 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 .677040254456685E+04 .99999997E+01 20000 .207707077683970E+04 .99999997E+01 30000 .159187865432347E+04 .99999997E+01 200 -.410239807377382E-02 .99999997E+01 1100 -.784475187276566E-02 .99999997E+01 2000 -.506927747346714E-01 .99999997E+01 40100 -.103296658069458E-02 .99999997E+01 41000 -.120746348661167E-01 .99999997E+01 110010000 .243086512903306E+03 .99999997E+01 110040000 .644329584711104E+02 .99999997E+01 110610000 -.287264951731382E+03 .99999997E+01 10010000 .100000000000000E-15 .99999997E-19 10020000 .137786155748801E-02 .99999997E+00 -10030000 .137786155748801E-02 .99999997E+00 ! !------------------------------------------------------------------------------