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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/aug-cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5353   0.5349 -0.0216 0.0000
O2 0.0000 1.1788 -0.2487   -0.2485 0.0100 1.1788
O3 0.0000 -1.1788 -0.2487   -0.2485 0.0100 -1.1788
H4 -0.8992 -0.0768 1.1634   1.1263 -0.9453 -0.0768
H5 0.8992 0.0768 1.1634   1.1987 0.8516 0.0768
H6 -0.8096 1.1698 -0.7794   -0.8114 -0.7776 1.1698
H7 0.8096 -1.1698 -0.7794   -0.7462 0.8403 -1.1698
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6 H7
C1 1.4157 1.4157 1.0996 1.0996 1.9372 1.9372
O2 1.4157 2.3576 2.0927 2.0043 0.9681 2.5403
O3 1.4157 2.3576 2.0043 2.0927 2.5403 0.9681
H4 1.0996 2.0927 2.0043 1.8050 2.3102 2.8089
H5 1.0996 2.0043 2.0927 1.8050 2.8089 2.3102
H6 1.9372 0.9681 2.5403 2.3102 2.8089 2.8454
H7 1.9372 2.5403 0.9681 2.8089 2.3102 2.8454
Maximum atom distance is 2.8454Å 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 112.742
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H6 107.211 C1 O3 H7 107.211
O2 C1 H4 111.994 O2 C1 H5 104.965
O3 C1 H4 104.965 O3 C1 H5 111.994
H4 C1 H5 110.324

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