ASFIT version 14.IV.2008
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SA D7: quartics from 0.948f scaled MP2/6-31G** harmonic force field                                                    
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 Fit of Watson's Hamiltonian --> reduction-A, representation-I.r  :


 A    =      3125.5393698556622439355   +-    0.0038586886896159415
 B    =      1479.4394604025255830493   +-    0.0005463989995087667
 C    =      1004.3450275603472618968   +-    0.0001576751883382550
  DJ  =         0.0000368529000000000
  DJK =         0.0001299683000000000
  DK  =         0.0002992898000000000
  dJ  =         0.0000108528000000000
  dK  =         0.0001085995000000000

          Deviation of fit =       0.003373
 Weighted deviation of fit =       1.686278

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                 TRANSITION              Observed      Obs-Calc    Error  Note        Blend components
------------------------------------------------------------------------------------------------------

!
! a.R-type
!
   1.     5   1   5     4   1   4      10935.7236        0.0005   0.0020          
   2.     5   0   5     4   0   4      11166.9967       -0.0005   0.0020          
   3.     5   1   4     4   1   3      13105.1099       -0.0019   0.0020          
!
   4.     6   1   6     5   1   5      13000.0141       -0.0007   0.0020          
   5.     6   0   6     5   0   5      13129.0574       -0.0006   0.0020          
   6.     6   1   5     5   1   4      15353.7135        0.0032   0.0020          
!
   7.     7   1   7     6   1   6      15039.1012        0.0015   0.0020          
!
! b.R-type
!
!
   8.     5   0   5     4   1   4      10687.0408       -0.0038   0.0020          
   9.     5   1   5     4   0   4      11415.6699       -0.0059   0.0020          
!
  10.     7   0   7     6   1   6      14984.3794        0.0001   0.0020          
  11.     7   1   7     6   0   6      15158.7400        0.0049   0.0020          
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 Sigma   =       0.003373                              11 Distinct lines in fit
 Sigma.w =       1.686278                               8 Degrees of freedom

 A    /MHz        3125.5393(38)          LJK /mHz           0.0               
 B    /MHz        1479.43946(54)         LKKJ/mHz           0.0               
 C    /MHz        1004.34502(15)         LK  /mHz           0.0               
  DJ  /kHz           0.0368529           lJ  /mHz           0.0               
  DJK /kHz           0.1299683           lJK /mHz           0.0               
  DK  /kHz           0.2992898           lKJ /mHz           0.0               
  dJ  /kHz           0.0108528           lK  /mHz           0.0               
  dK  /kHz           0.1085995          PJ   /microHz       0.0               
 HJ   / Hz           0.0                PJJK /microHz       0.0               
 HJK  / Hz           0.0                PJK  /microHz       0.0               
 HKJ  / Hz           0.0                PKJ  /microHz       0.0               
 HK   / Hz           0.0                PKKJ /microHz       0.0               
 hJ   / Hz           0.0                PK   /microHz       0.0               
 hJK  / Hz           0.0                pJ   /microHz       0.0               
 hK   / Hz           0.0                pJJK /microHz       0.0               
  LJ  /mHz           0.0                pJK  /microHz       0.0               
  LJJK/mHz           0.0                pKKJ /microHz       0.0               
                                        pK   /microHz       0.0               

 CORRELATION COEFFICIENTS, C.ij:

          A        B        C    

 A        1.0000
 B       -0.1102   1.0000
 C       -0.5822  -0.4219   1.0000

 Mean value of |C.ij|, i.ne.j =   0.3714
 Mean value of  C.ij,  i.ne.j =  -0.3714

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 MOST INFLUENTIAL TRANSITIONS:
                                         Observed      Obs-Calc      hjj >0.500

   3.     5   1   4     4   1   3      13105.1099       -0.0019   0.5386

                                             mean of all values = 0.2727

 WORST FITTING LINES (line number=(o-c)/error):
     9= -3.0   11=  2.5    8= -1.9    6=  1.6    3= -0.9    7=  0.8    4= -0.4
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