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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=FULL/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 0.5321   0.5317 -0.0204 0.0000
O2 0.0000 1.1709 -0.2467   -0.2465 0.0095 1.1709
O3 0.0000 -1.1709 -0.2467   -0.2465 0.0095 -1.1709
H4 -0.8878 -0.0793 1.1592   1.1243 -0.9316 -0.0793
H5 0.8878 0.0793 1.1592   1.1924 0.8427 0.0793
H6 -0.8027 1.1444 -0.7816   -0.8118 -0.7722 1.1444
H7 0.8027 -1.1444 -0.7816   -0.7503 0.8321 -1.1444
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6 H7
C1 1.4062 1.4062 1.0899 1.0899 1.9183 1.9183
O2 1.4062 2.3418 2.0803 1.9891 0.9650 2.5082
O3 1.4062 2.3418 1.9891 2.0803 2.5082 0.9650
H4 1.0899 2.0803 1.9891 1.7827 2.2960 2.7855
H5 1.0899 1.9891 2.0803 1.7827 2.7855 2.2960
H6 1.9183 0.9650 2.5082 2.2960 2.7855 2.7957
H7 1.9183 2.5082 0.9650 2.7855 2.2960 2.7957
Maximum atom distance is 2.7957Å 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 112.743
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H6 106.506 C1 O3 H7 106.506
O2 C1 H4 112.287 O2 C1 H5 104.958
O3 C1 H4 104.958 O3 C1 H5 112.287
H4 C1 H5 109.740

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