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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

PBEPBE/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 0.5318   0.0000 0.5318 0.0000
O2 0.0000 1.1793 -0.2469   1.1784 -0.2469 0.0462
O3 0.0000 -1.1793 -0.2469   -1.1784 -0.2469 -0.0462
H4 -0.8993 -0.0882 1.1666   -0.0529 1.1666 -0.9021
H5 0.8993 0.0882 1.1666   0.0529 1.1666 0.9021
H6 -0.8116 1.1611 -0.7867   1.1920 -0.7867 -0.7654
H7 0.8116 -1.1611 -0.7867   -1.1920 -0.7867 0.7654
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6 H7
C1 1.4132 1.4132 1.1043 1.1043 1.9353 1.9353
O2 1.4132 2.3586 2.1008 1.9993 0.9749 2.5352
O3 1.4132 2.3586 1.9993 2.1008 2.5352 0.9749
H4 1.1043 2.1008 1.9993 1.8073 2.3203 2.8095
H5 1.1043 1.9993 2.1008 1.8073 2.8095 2.3203
H6 1.9353 0.9749 2.5352 2.3203 2.8095 2.8332
H7 1.9353 2.5352 0.9749 2.8095 2.3203 2.8332
Maximum atom distance is 2.8332Å 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 113.124
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H6 106.832 C1 O3 H7 106.832
O2 C1 H4 112.544 O2 C1 H5 104.481
O3 C1 H4 104.481 O3 C1 H5 112.544
H4 C1 H5 109.830

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