SMILES:o1ccoc1=O	ChemMol.com

FORMULA: C3H2O3
MASS: 86.0462
EXACT MASS: 86.0003939
INTERATOMIC DISTANCES

              O   1      O   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.6180     0.0000 
   O   3    1.7820     1.7821     0.0000 
   C   4    1.0000     1.6180     2.5876     0.0000 
   C   5    1.6180     1.0000     2.5876     0.9999     0.0000 
   C   6    1.0000     0.9999     1.0001     1.6180     1.6180     0.0000 
   H   7    1.4537     2.2160     3.1610     0.6200     1.4537     2.2160 
   H   8    2.2159     1.4537     3.1609     1.4537     0.6200     2.2159 

              H   7      H   8
              ----------------------
   H   7    0.0000 
   H   8    1.7288     0.0000 



ATOMIC CHARGES
   O   1   -0.3993367502
   O   2   -0.3993367502
   O   3   -0.2021032353
   C   4    0.1339908477
   C   5    0.1339908477
   C   6    0.5201042293
   H   7    0.1063454055
   H   8    0.1063454055


BOND ANGLES
   6    1    4  Car   O2  Car    107.997
   1    4    5   O2  Car  Car    108.001
   1    4    7   O2  Car   HC    125.999
   4    1    6  Car   O2  Car    107.997
   6    2    5  Car   O2  Car    108.000
   2    5    8   O2  Car   HC    125.997
   5    2    6  Car   O2  Car    108.000
   7    4    5   HC  Car  Car    126.000
   4    5    8  Car  Car   HC    126.002
   5    4    7  Car  Car   HC    126.000


TORSION ANGLES
   6    1    4    5      0.026
   6    1    4    7    179.974
   4    1    6    2      0.026
   4    1    6    3    179.974
   6    2    5    4      0.026
   6    2    5    8    179.974
   5    2    6    1      0.026
   5    2    6    3    179.974
   1    4    5    2      0.026
   1    4    5    8    179.974
   7    4    5    2    179.974
   7    4    5    8      0.026