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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)_3
 !
 !

 INPUT CARTESIANS:

 =Og        0.84892  0.01556    -0.34981  0.00792    -1.50667  0.00298
 HOg        0.68685  0.01420     0.57651  0.00699     1.16204  0.00500
 12_O2     -2.13541  0.00310    -0.62122  0.00596    -0.89366  0.00611
  9_O1     -1.45581  0.00367     1.96984  0.00283     0.05261  0.00764
 15_O3     -0.76734  0.00540    -1.68109  0.00423     1.21374  0.00673

 CALCULATED INTERNALS:

 !
 !  Bond lengths
 !
             =Og   12_O2   =    3.05870 +- 0.01556     
             HOg   15_O3   =    2.68591 +- 0.01072     
             HOg    9_O1   =    2.78625 +- 0.01244     
             12_O2 15_O3   =    2.72692 +- 0.00820     
             12_O2  9_O1   =    2.84093 +- 0.00694     
             =Og   HOg     =    2.82955 +- 0.00660     ! calc OO in G
 !
 !  Bond angles
 !
       =Og    9_O1 12_O2   =   54.88836 +- 0.22507     
       HOg   12_O2  9_O1   =   48.36887 +- 0.17524     
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