ASFIT version 4.IV.2002
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 benzaldehyde 13C3                                            
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 Fit of Watson's Hamiltonian --> reduction-A, representation-I.r  :


 A    =      5140.8650137383619949105   +-    0.0107784564226976066
 B    =      1555.4866042571020443575   +-    0.0001428175491537505
 C    =      1194.4816815443200539448   +-    0.0001390240710957027
  DJ  =         0.0000685701487841455
  DJK =         0.0001627325265853607
  DK  =         0.0007393234520951088
  dJ  =         0.0000179628806891309
  dK  =         0.0002893787521218110

          Deviation of fit =       0.001166
 Weighted deviation of fit =       0.582804

-------------------------------------------------------------------------------
                 TRANSITION              Observed      Obs-Calc    Error
-------------------------------------------------------------------------------
!
!  IFPAN FTMW
!
! a-dipole transitions
!
   1.     4   1   4     3   1   3      10229.3531        0.0005   0.0020         
   2.     4   0   4     3   0   3      10748.4216       -0.0020   0.0020         
   3.     4   2   2     3   2   1      11231.0619       -0.0001   0.0020         
   4.     4   1   3     3   1   2      11666.3871        0.0003   0.0020         

   5.     5   1   5     4   1   4      12745.5170        0.0000   0.0020         
   6.     5   0   5     4   0   4      13267.5796        0.0010   0.0020         
   7.     5   1   4     4   1   3      14526.2893        0.0002   0.0020         
-------------------------------------------------------------------------------

 Sigma   =       0.001166                               7 Transitions in fit
 Sigma.w =       0.582804                               4 Degrees of freedom

 A    /MHz        5140.865(10)           LJK /mHz           0.0               
 B    /MHz        1555.48660(14)         LKKJ/mHz           0.0               
 C    /MHz        1194.48168(13)         LK  /mHz           0.0               
  DJ  /kHz           0.0685701487841456  lJ  /mHz           0.0               
  DJK /kHz           0.1627325265853609  lJK /mHz           0.0               
  DK  /kHz           0.7393234520951095  lKJ /mHz           0.0               
  dJ  /kHz           0.0179628806891309  lK  /mHz           0.0               
  dK  /kHz           0.2893787521218112 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        0.2064   1.0000
 C       -0.6316  -0.6360   1.0000

 Mean value of |C.ij|, i.ne.j =   0.4913
 Mean value of  C.ij,  i.ne.j =  -0.3537

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 MOST INFLUENTIAL TRANSITIONS:
                                         Observed      Obs-Calc      hjj >0.500

   3.     4   2   2     3   2   1      11231.0619       -0.0001   0.6163
   6.     5   0   5     4   0   4      13267.5796        0.0010   0.5655

                                             mean of all values = 0.4286

 WORST FITTING LINES (line number=(o-c)/error):
     2= -1.0    6=  0.5    1=  0.2    4=  0.1    7=  0.1    3=  0.0    5=  0.0
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