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Geometry for CH3OH (Methyl alcohol) 1A' CS

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

BLYP/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0470 0.6661 0.0000   0.6628 -0.0807 0.0000
O2 -0.0470 -0.7652 0.0000   -0.7666 -0.0081 0.0000
H3 -1.1016 0.9810 0.0000   0.9238 -1.1500 0.0000
H4 0.4387 1.0976 0.8978   1.1185 0.3824 0.8978
H5 0.4387 1.0976 -0.8978   1.1185 0.3824 -0.8978
H6 0.8821 -1.0510 0.0000   -1.0048 0.9343 0.0000
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5 H6
C1 1.4313 1.1006 1.1083 1.1083 1.9523
O2 1.4313 2.0400 2.1242 2.1242 0.9720
H3 1.1006 2.0400 1.7867 1.7867 2.8397
H4 1.1083 2.1242 1.7867 1.7957 2.3705
H5 1.1083 2.1242 1.7867 1.7957 2.3705
H6 1.9523 0.9720 2.8397 2.3705 2.3705
Maximum atom distance is 2.8397Å 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 107.096 O2 C1 H3 106.626
O2 C1 H4 112.918 O2 C1 H5 112.918
H3 C1 H4 107.968 H3 C1 H5 107.968
H4 C1 H5 108.218

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