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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

B1B95/6-311G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5276   0.5271 -0.0215 0.0000
O2 0.0000 1.1617 -0.2449   -0.2447 0.0100 1.1617
O3 0.0000 -1.1617 -0.2449   -0.2447 0.0100 -1.1617
H4 -0.8894 -0.0790 1.1570   1.1198 -0.9358 -0.0790
H5 0.8894 0.0790 1.1570   1.1923 0.8416 0.0790
H6 -0.7972 1.1577 -0.7808   -0.8126 -0.7647 1.1577
H7 0.7972 -1.1577 -0.7808   -0.7477 0.8283 -1.1577
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6 H7
C1 1.3951 1.3951 1.0925 1.0925 1.9203 1.9203
O2 1.3951 2.3234 2.0726 1.9821 0.9606 2.5105
O3 1.3951 2.3234 1.9821 2.0726 2.5105 0.9606
H4 1.0925 2.0726 1.9821 1.7859 2.3007 2.7863
H5 1.0925 1.9821 2.0726 1.7859 2.7863 2.3007
H6 1.9203 0.9606 2.5105 2.3007 2.7863 2.8113
H7 1.9203 2.5105 0.9606 2.7863 2.3007 2.8113
Maximum atom distance is 2.8113Å 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 112.757
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H6 107.789 C1 O3 H7 107.789
O2 C1 H4 112.285 O2 C1 H5 104.999
O3 C1 H4 104.999 O3 C1 H5 112.285
H4 C1 H5 109.642

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