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Geometry for CH3OH (Methyl alcohol) 1A' CS

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

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


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0468 0.6598 0.0000   0.6566 -0.0805 0.0000
O2 -0.0468 -0.7607 0.0000   -0.7621 -0.0079 0.0000
H3 -1.1014 0.9784 0.0000   0.9209 -1.1500 0.0000
H4 0.4378 1.0951 0.8981   1.1160 0.3813 0.8981
H5 0.4378 1.0951 -0.8981   1.1160 0.3813 -0.8981
H6 0.8815 -1.0418 0.0000   -0.9954 0.9336 0.0000
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5 H6
C1 1.4206 1.1017 1.1094 1.1094 1.9384
O2 1.4206 2.0339 2.1179 2.1179 0.9700
H3 1.1017 2.0339 1.7859 1.7859 2.8308
H4 1.1094 2.1179 1.7859 1.7961 2.3600
H5 1.1094 2.1179 1.7859 1.7961 2.3600
H6 1.9384 0.9700 2.8308 2.3600 2.3600
Maximum atom distance is 2.8308Å 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 106.845 O2 C1 H3 106.809
O2 C1 H4 113.097 O2 C1 H5 113.097
H3 C1 H4 107.743 H3 C1 H5 107.743
H4 C1 H5 108.090

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