(H2O)2...H79Br: S' state Fri Oct 27 09:18:23 2017 14 43 10 0 0.0000E+000 3.0000E+021 1.0000E+000 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 6.769083206324111E+003 1.00000000E+000 /A 20000 2.076834567246490E+003 1.00000000E+000 /B 30000 1.592113034693430E+003 1.00000000E+000 /C 200 -4.121487029955510E-003 1.00000000E+000 /-DJ 1100 -7.478124597677532E-003 1.00000000E+000 /-DJK 2000 -2.554758473408180E-002 1.00000000E+000 /-DK 40100 -1.036079086115740E-003 1.00000000E+000 /-delJ 41000 -1.209636846749230E-002 1.00000000E+000 /-delK 110010000 2.429220441563160E+002 1.00000000E+000 /chi.aa*3/2 110040000 6.444496296423371E+001 1.00000000E+000 /chi(b-c)/4 110610000 -2.872205133176920E+002 1.00000000E+000 /chi.ab 10010000 0.000000000000000E+000 1.00000000E-037 /M.aa {+IMJ 10020000 1.170374912447840E-003 1.00000000E+000 /M.bb {+IMJ -10030000 1.170374912447840E-003 1.00000000E-037 /M.cc {+IMJ ! !------------------------------------------------------------------------------ ! ! Legacy ! (H2O)2...H79Br: S' state 14 43 10 0 .1000E-11 .3000E+22 .1000E+01 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 .676908320632411E+04 .99999997E+01 20000 .207683456724649E+04 .99999997E+01 30000 .159211303469343E+04 .99999997E+01 200 -.412148702995551E-02 .99999997E+01 1100 -.747812459767753E-02 .99999997E+01 2000 -.255475847340818E-01 .99999997E+01 40100 -.103607908611574E-02 .99999997E+01 41000 -.120963684674923E-01 .99999997E+01 110010000 .242922044156316E+03 .99999997E+01 110040000 .644449629642337E+02 .99999997E+01 110610000 -.287220513317692E+03 .99999997E+01 10010000 .100000000000000E-15 .99999997E-19 10020000 .117037491244784E-02 .99999997E+00 -10030000 .117037491244784E-02 .99999997E+00 ! !------------------------------------------------------------------------------