(H2O)2...H(81Br): W Fri Oct 27 09:18:59 2017 14 40 10 0 0.0000E+000 3.0000E+021 1.0000E+000 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 6.769583027424511E+003 1.00000000E+000 /A 20000 2.061265904898360E+003 1.00000000E+000 /B 30000 1.582552821620700E+003 1.00000000E+000 /C 200 -4.053426909157040E-003 1.00000000E+000 /-DJ 1100 -7.728408482685832E-003 1.00000000E+000 /-DJK 2000 4.992072476379970E-002 1.00000000E+000 /-DK 40100 -9.957030548410533E-004 1.00000000E+000 /-delJ 41000 -1.100272023956670E-002 1.00000000E+000 /-delK 110010000 2.034563805378770E+002 1.00000000E+000 /chi.aa*3/2 110040000 5.375292740183700E+001 1.00000000E+000 /chi(b-c)/4 110610000 -2.398208466928220E+002 1.00000000E+000 /chi.ab 10010000 0.000000000000000E+000 1.00000000E-037 /M.aa {+IMJ 10020000 2.078652158216090E-003 1.00000000E+000 /M.bb {+IMJ -10030000 2.078652158216090E-003 1.00000000E-037 /M.cc {+IMJ ! !------------------------------------------------------------------------------ ! ! Legacy ! (H2O)2...H(81Br): W 14 100 10 0 .1000E-11 .3000E+22 .1000E+01 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 .676958302742451E+04 .99999997E+01 20000 .206126590489836E+04 .99999997E+01 30000 .158255282162070E+04 .99999997E+01 200 -.405342690915704E-02 .99999997E+01 1100 -.772840848268583E-02 .99999997E+01 2000 .499207247637997E-01 .99999997E+01 40100 -.995703054841053E-03 .99999997E+01 41000 -.110027202395667E-01 .99999997E+01 110010000 .203456380537877E+03 .99999997E+01 110040000 .537529274018370E+02 .99999997E+01 110610000 -.239820846692822E+03 .99999997E+01 10010000 .100000000000000E-15 .99999997E-19 10020000 .207865215821609E-02 .99999997E+01 -10030000 .207865215821609E-02 .99999997E+01 ! !------------------------------------------------------------------------------