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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)_4
 !
 !

 INPUT CARTESIANS:

 =Og        1.03621  0.01372     0.05718  0.01081    -1.69474  0.00128
 HOg        1.04831  0.00788     0.17393  0.01297     1.14368  0.00205
 18_O1     -0.77362  0.00982     2.03080  0.00511     0.91502  0.00316
 12_O2     -2.91149  0.00484     0.79712  0.01310    -0.23954  0.01483
  9_O3     -1.50542  0.00744    -1.42304  0.00617    -0.94320  0.01103
 15_O4      0.03081  0.02421    -2.44706  0.00387     1.15237  0.00631

 CALCULATED INTERNALS:

 !
 !  Bond lengths
 !
             HOg   18_O1   =    2.61145 +- 0.01325     
             18_O1 12_O2   =    2.72497 +- 0.01247     
             12_O2  9_O3   =    2.72053 +- 0.01355     
              9_O3 15_O4   =    2.79285 +- 0.01709     
              9_O3 =Og     =    3.03574 +- 0.01467     
             HOg   15_O4   =    2.81158 +- 0.01562     
             =Og   HOg     =    2.84085 +- 0.00251     ! calc OO in G
 !
 !  Bond angles
 !
       =Og   12_O2 18_O1   =   59.85069 +- 0.21217     
       HOg   18_O1 12_O2   =  105.22083 +- 0.36875     
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