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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

CCD/6-31G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5496   0.5492 -0.0212 0.0000
O2 0.0000 1.2027 -0.2531   -0.2529 0.0098 1.2027
O3 0.0000 -1.2027 -0.2531   -0.2529 0.0098 -1.2027
H4 -0.8994 -0.0850 1.1732   1.1377 -0.9440 -0.0850
H5 0.8994 0.0850 1.1732   1.2070 0.8535 0.0850
H6 -0.8117 1.2463 -0.7977   -0.8283 -0.7804 1.2463
H7 0.8117 -1.2463 -0.7977   -0.7658 0.8419 -1.2463
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6 H7
C1 1.4460 1.4460 1.0977 1.0977 2.0068 2.0068
O2 1.4460 2.4054 2.1217 2.0230 0.9785 2.6369
O3 1.4460 2.4054 2.0230 2.1217 2.6369 0.9785
H4 1.0977 2.1217 2.0230 1.8068 2.3800 2.8567
H5 1.0977 2.0230 2.1217 1.8068 2.8567 2.3800
H6 2.0068 0.9785 2.6369 2.3800 2.8567 2.9747
H7 2.0068 2.6369 0.9785 2.8567 2.3800 2.9747
Maximum atom distance is 2.9747Å 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 112.562
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H6 110.243 C1 O3 H7 110.243
O2 C1 H4 112.318 O2 C1 H5 104.533
O3 C1 H4 104.533 O3 C1 H5 112.318
H4 C1 H5 110.769

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