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 |                                                                            |
 |      E V A L   -  Internals and their errors from Cartesians               |
 |____________________________________________________________________________|
  version 20.V.2020                                            Zbigniew KISIEL


 WARNING:

          The EVAL uncertainties are evaluated by assuming that
          the correlation matrix is a unit matrix.             

          The EVAL uncertainties may thus differ significantly 
          (but typically by not more than 30% either way)   
          from uncertainties in explicitly fitted internals    
          corresponding to the input Cartesians.               


 !     glycoaldehyde (H2O)_6
 !
 !

 INPUT CARTESIANS:

 =Og       -2.87568  0.00234    -0.45782  0.00784    -0.64875  0.00765
 HOg       -0.90437  0.00264     0.96216  0.00492     0.74929  0.00620
 18_O4      1.37944  0.00861    -1.47140  0.00637    -1.71898  0.00571
 24_O5      0.64194  0.01485     1.28297  0.00768    -1.33572  0.00664
  9_O1      0.24643  0.02148    -1.00528  0.00884     2.21084  0.00413
 12_O3     -0.67132  0.01570    -2.33767  0.00430    -0.18391  0.00505
 15_O2      2.81212  0.00393    -0.68940  0.00866     0.71405  0.00576
 21_O6      2.98896  0.00394     1.96766  0.00476    -0.02251  0.00987

 CALCULATED INTERNALS:

 !
 !  Bond lengths
 !
             =Og   12_O3   =    2.93413 +- 0.01331     
             HOg    9_O1   =    2.70764 +- 0.01244     
              9_O1 12_O3   =    2.89004 +- 0.01101     
              9_O1 15_O2   =    2.98713 +- 0.01913     
             18_O4 12_O3   =    2.70416 +- 0.01446     
             HOg   24_O5   =    2.61558 +- 0.01154     
             18_O4 15_O2   =    2.92980 +- 0.00866     
             15_O2 21_O6   =    2.76293 +- 0.00999     
             24_O5 21_O6   =    2.77522 +- 0.01433     
             18_O4 24_O5   =    2.87704 +- 0.01058     
             =Og   HOg     =    2.80302 +- 0.00723     ! calc OO in G
 !
 !  Bond angles
 !
       =Og   24_O5 18_O4   =   80.27070 +- 0.30783     
       HOg   18_O4 24_O5   =   38.60024 +- 0.22948     
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