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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

MP2/3-21G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5476   0.5472 -0.0215 0.0000
O2 0.0000 1.2100 -0.2508   -0.2507 0.0098 1.2100
O3 0.0000 -1.2100 -0.2508   -0.2507 0.0098 -1.2100
H4 -0.8901 -0.0956 1.1742   1.1384 -0.9354 -0.0956
H5 0.8901 0.0956 1.1742   1.2082 0.8434 0.0956
H6 -0.8200 1.1898 -0.8103   -0.8418 -0.7876 1.1898
H7 0.8200 -1.1898 -0.8103   -0.7775 0.8511 -1.1898
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6 H7
C1 1.4497 1.4497 1.0927 1.0927 1.9829 1.9829
O2 1.4497 2.4201 2.1279 2.0162 0.9928 2.5970
O3 1.4497 2.4201 2.0162 2.1279 2.5970 0.9928
H4 1.0927 2.1279 2.0162 1.7904 2.3655 2.8390
H5 1.0927 2.0162 2.1279 1.7904 2.8390 2.3655
H6 1.9829 0.9928 2.5970 2.3655 2.8390 2.8900
H7 1.9829 2.5970 0.9928 2.8390 2.3655 2.8900
Maximum atom distance is 2.8900Å 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 113.162
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H6 107.059 C1 O3 H7 107.059
O2 C1 H4 112.885 O2 C1 H5 104.052
O3 C1 H4 104.052 O3 C1 H5 112.885
H4 C1 H5 110.016

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