____________________________________________________________________________
 |                                                                            |
 |      E V A L   -  Internals and their errors from Cartesians               |
 |____________________________________________________________________________|
  version 19.VI.2017                                           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.               


 !     SALICYL ALDEHYDE
 !

 INPUT CARTESIANS:

 13C1      -0.27080  0.00554    -0.55739  0.00269     0.00000  0.00000
 13C2      -0.04643  0.03230     0.81779  0.00183     0.00000  0.00000
 13C3       1.29448  0.00116     1.27095  0.00118     0.00000  0.00000
 13C4       2.33528  0.00064     0.34591  0.00434     0.00000  0.00000
 13C5       2.08570  0.00072    -1.03059  0.00146     0.00000  0.00000
 13C6       0.76916  0.00195    -1.47563  0.00102     0.00000  0.00000
 13C7      -1.66223  0.00090    -1.05650  0.00142     0.00000  0.00000
 18O1      -1.01385  0.00148     1.73391  0.00087     0.00000  0.00000
 18O2      -2.65794  0.00056    -0.33314  0.00450     0.00000  0.00000
 D1        -1.87352  0.00080     1.26151  0.00119     0.00000  0.00000
 D3         1.48272  0.00101     2.33740  0.00064     0.00000  0.00000
 D4         3.35595  0.00045     0.71073  0.00211     0.00000  0.00000
 D5         2.90655  0.00052    -1.73413  0.00087     0.00000  0.00000
 D6         0.54109  0.00277    -2.53965  0.00059     0.00000  0.00000
 D7        -1.78099  0.00084    -2.15319  0.00070     0.00000  0.00000

 CALCULATED INTERNALS:

 !
 !  Bond lengths
 !
             13C2  13C1    =    1.39336 +- 0.00619     
             13C3  13C2    =    1.41541 +- 0.03063     
             13C3  13C4    =    1.39247 +- 0.00315     
             13C1  13C6    =    1.38733 +- 0.00480     
             13C5  13C6    =    1.38973 +- 0.00205     
             13C4  13C5    =    1.39894 +- 0.00451     
             13C1  13C7    =    1.47824 +- 0.00538     
             13C7  18O2    =    1.23073 +- 0.00290     
             13C2  18O1    =    1.33236 +- 0.02352     
             13C7  D7      =    1.10310 +- 0.00158     
             18O1  D1      =    0.98092 +- 0.00164     
             18O2  D1      =    1.77714 +- 0.00420     
             18O2  18O1    =    2.64116 +- 0.00372     
             13C3  D3      =    1.08294 +- 0.00135     
             13C4  D4      =    1.08391 +- 0.00178     
             13C5  D5      =    1.08109 +- 0.00130     
             13C6  D6      =    1.08819 +- 0.00135     
 !
 !  Bond angles
 !
       13C6  13C1  13C2    =  122.17657 +- 1.36670     
       13C1  13C6  13C5    =  119.87969 +- 0.19771     
       13C1  13C2  13C3    =  117.93921 +- 1.74684     
       13C6  13C5  13C4    =  118.95412 +- 0.09993     
       13C2  13C3  13C4    =  119.69735 +- 0.45328     
       13C3  13C4  13C5    =  121.35305 +- 0.12460     
       13C2  13C1  13C7    =  118.99961 +- 1.35010     
       13C7  13C1  13C6    =  118.82382 +- 0.21401     
       13C1  13C7  18O2    =  124.26941 +- 0.23467     
       13C1  13C7  D7      =  115.91351 +- 0.15407     
       18O2  13C7  D7      =  119.81708 +- 0.19484     
       13C2  18O1  D1      =  107.77074 +- 0.96114     
       18O1  D1    18O2    =  144.98229 +- 0.12739     
       13C1  13C2  18O1    =  124.17333 +- 2.27749     
       18O1  13C2  13C3    =  117.88746 +- 0.55505     
       13C2  13C3  D3      =  118.68288 +- 0.43823     
       13C4  13C3  D3      =  121.61977 +- 0.17345     
       13C3  13C4  D4      =  118.70151 +- 0.36837     
       13C5  13C4  D4      =  119.94544 +- 0.27354     
       13C6  13C5  D5      =  120.72336 +- 0.13201     
       13C4  13C5  D5      =  120.32252 +- 0.09180     
       13C1  13C6  D6      =  119.34498 +- 0.27257     
       13C5  13C6  D6      =  120.77533 +- 0.20554     
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