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Geometry for CH2(OH)2 (methanediol) 1A C2

1910171554
InChI=1S/CH4O2/c2-1-3/h2-3H,1H2 INChIKey=CKFGINPQOCXMAZ-UHFFFAOYSA-N

MP2=FULL/6-311G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5309   0.5305 -0.0213 0.0000
O2 0.0000 1.1667 -0.2459   -0.2457 0.0099 1.1667
O3 0.0000 -1.1667 -0.2459   -0.2457 0.0099 -1.1667
H4 -0.8923 -0.0802 1.1562   1.1194 -0.9381 -0.0802
H5 0.8923 0.0802 1.1562   1.1912 0.8451 0.0802
H6 -0.7979 1.1526 -0.7819   -0.8134 -0.7658 1.1526
H7 0.7979 -1.1526 -0.7819   -0.7492 0.8287 -1.1526
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6 H7
C1 1.4017 1.4017 1.0926 1.0926 1.9206 1.9206
O2 1.4017 2.3335 2.0777 1.9857 0.9613 2.5107
O3 1.4017 2.3335 1.9857 2.0777 2.5107 0.9613
H4 1.0926 2.0777 1.9857 1.7919 2.2989 2.7863
H5 1.0926 1.9857 2.0777 1.7919 2.7863 2.2989
H6 1.9206 0.9613 2.5107 2.2989 2.7863 2.8037
H7 1.9206 2.5107 0.9613 2.7863 2.2989 2.8037
Maximum atom distance is 2.8037Å between atoms H6 and H7.
picture of methanediol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 O3 112.688
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H6 107.265 C1 O3 H7 107.265
O2 C1 H4 112.225 O2 C1 H5 104.840
O3 C1 H4 104.840 O3 C1 H5 112.225
H4 C1 H5 110.176

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.