(H2O)2...H(81Br): S Fri Oct 27 09:17:30 2017 14 42 10 0 0.0000E+000 3.0000E+021 1.0000E+000 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 6.768208898427642E+003 1.00000000E+000 /A 20000 2.061030698244770E+003 1.00000000E+000 /B 30000 1.582789625177680E+003 1.00000000E+000 /C 200 -4.026376978704073E-003 1.00000000E+000 /-DJ 1100 -7.571523287202744E-003 1.00000000E+000 /-DJK 2000 1.104602990124220E-001 1.00000000E+000 /-DK 40100 -9.828110194318488E-004 1.00000000E+000 /-delJ 41000 -9.270352963224753E-003 1.00000000E+000 /-delK 110010000 2.033790099798650E+002 1.00000000E+000 /chi.aa*3/2 110040000 5.377697868163801E+001 1.00000000E+000 /chi(b-c)/4 110610000 -2.398478011043050E+002 1.00000000E+000 /chi.ab 10010000 0.000000000000000E+000 1.00000000E-037 /M.aa {+IMJ 10020000 3.908020131640110E-003 1.00000000E+000 /M.bb {+IMJ -10030000 3.908020131640110E-003 1.00000000E-037 /M.cc {+IMJ ! !------------------------------------------------------------------------------ ! ! Legacy ! (H2O)2...H(81Br): S 14 100 10 0 .1000E-11 .3000E+22 .1000E+01 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 .676820889842764E+04 .99999997E+02 20000 .206103069824477E+04 .99999997E+01 30000 .158278962517768E+04 .99999997E+01 200 -.402637697870407E-02 .99999997E+00 1100 -.757152328720274E-02 .99999997E+00 2000 .110460299012422E+00 .99999997E+00 40100 -.982811019431848E-03 .99999997E+00 41000 -.927035296322475E-02 .99999997E+00 110010000 .203379009979865E+03 .99999997E+01 110040000 .537769786816380E+02 .99999997E+01 110610000 -.239847801104305E+03 .99999997E+01 10010000 .100000000000000E-15 .99999997E-19 10020000 .390802013164011E-02 .99999997E+00 -10030000 .390802013164011E-02 .99999997E+00 ! !------------------------------------------------------------------------------