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Geometry for CH3OH (Methyl alcohol) 1A' CS

1910171554
InChI=1S/CH4O/c1-2/h2H,1H3 INChIKey=OKKJLVBELUTLKV-UHFFFAOYSA-N

PBEPBEultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0471 0.6614 0.0000   0.6581 -0.0810 0.0000
O2 -0.0471 -0.7618 0.0000   -0.7632 -0.0080 0.0000
H3 -1.1036 0.9744 0.0000   0.9166 -1.1521 0.0000
H4 0.4371 1.0967 0.8998   1.1176 0.3803 0.8998
H5 0.4371 1.0967 -0.8998   1.1176 0.3803 -0.8998
H6 0.8889 -1.0422 0.0000   -0.9953 0.9412 0.0000
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5 H6
C1 1.4232 1.1019 1.1106 1.1106 1.9438
O2 1.4232 2.0324 2.1208 2.1208 0.9771
H3 1.1019 2.0324 1.7884 1.7884 2.8349
H4 1.1106 2.1208 1.7884 1.7996 2.3640
H5 1.1106 2.1208 1.7884 1.7996 2.3640
H6 1.9438 0.9771 2.8349 2.3640 2.3640
Maximum atom distance is 2.8349Å between atoms H3 and H6.
picture of Methyl alcohol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H6 106.679 O2 C1 H3 106.503
O2 C1 H4 113.072 O2 C1 H5 113.072
H3 C1 H4 107.862 H3 C1 H5 107.862
H4 C1 H5 108.219

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