37ClH...14N 14N, I,I1,F coupling Wed Jun 01 08:01:34 2011 5 77 20 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 s -334 1 0 ,0 , , -1 , , , , , 0 , 100 1.705700950122020E+003 1.00000000E+017 /B 200 -7.952807653229210E-003 1.00000000E+017 /-DJ 110010000 -5.698285363475320E+001 1.00000000E+017 /Cl:X_a*3/2 220010000 -6.627461944469971E+000 2.00000000E-001 /N1:X_a*3/2 330010000 -6.955614329441500E+000 2.00000000E-001 /N2:X_a*3/2 ! !------------------------------------------------------------------------------- ! Refit: ! RMS ERROR= 1.04100 1.04100 ! 37ClH...14N 14N, I,I1,F coupling Wed Jun 01 08:01:34 2011 5 77 20 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 s -334 1 0 ,0 , , -1 , , , , , 0 , 100 1.705700950122020E+003 1.00000000E+017 /B 200 -7.952807653229210E-003 1.00000000E+017 /-DJ 110010000 -5.698285363475320E+001 1.00000000E+017 /Cl:X_a*3/2 220010000 -6.627461944469971E+000 2.00000000E-001 /N1:X_a*3/2 330010000 -6.955614329441500E+000 2.00000000E-001 /N2:X_a*3/2 ! !------------------------------------------------------------------------------- ! Legacy ! 37ClH...14N 14N, I,I1,F coupling 18:59:42.62 1/13/1999 5 200 20 0 .1000E-11 .1000E+21 .1000E+01 1.0000000000 s -334 1 0 ,0 , , -1 , , , , , 100. .170570095012202E+04 .10000000E+18/ 200. -.795280765322921E-02 .10000000E+18/-DJ 110010000. -.569828536347532E+02 .10000000E+18/chi.aa*3/2 220010000. -.662746194446997E+01 .20000000E+00/chi.aa*3/2 330010000. -.695561432944150E+01 .20000000E+00/ ! !-------------------------------------------------------------------------------