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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

MP2/6-311G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5328   0.0000 0.5328 0.0000
O2 0.0000 1.1671 -0.2468   1.1662 -0.2468 0.0446
O3 0.0000 -1.1671 -0.2468   -1.1662 -0.2468 -0.0446
H4 -0.8918 -0.0781 1.1615   -0.0440 1.1615 -0.8942
H5 0.8918 0.0781 1.1615   0.0440 1.1615 0.8942
H6 -0.7946 1.1217 -0.7853   1.1512 -0.7853 -0.7512
H7 0.7946 -1.1217 -0.7853   -1.1512 -0.7853 0.7512
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6 H7
C1 1.4035 1.4035 1.0940 1.0940 1.9045 1.9045
O2 1.4035 2.3341 2.0806 1.9911 0.9610 2.4819
O3 1.4035 2.3341 1.9911 2.0806 2.4819 0.9610
H4 1.0940 2.0806 1.9911 1.7905 2.2889 2.7791
H5 1.0940 1.9911 2.0806 1.7905 2.7791 2.2889
H6 1.9045 0.9610 2.4819 2.2889 2.7791 2.7492
H7 1.9045 2.4819 0.9610 2.7791 2.2889 2.7492
Maximum atom distance is 2.7791Å between atoms H4 and H7.
picture of methanediol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 O3 112.513
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H6 105.784 C1 O3 H7 105.784
O2 C1 H4 112.247 O2 C1 H5 105.061
O3 C1 H4 105.061 O3 C1 H5 112.247
H4 C1 H5 109.844

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