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Geometry for CH3OH (Methyl alcohol) 1A' CS

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

B3LYP/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0465 0.6648 0.0000   0.6616 -0.0808 0.0000
O2 -0.0465 -0.7581 0.0000   -0.7595 -0.0073 0.0000
H3 -1.0893 0.9795 0.0000   0.9220 -1.1384 0.0000
H4 0.4375 1.0811 0.8913   1.1022 0.3811 0.8913
H5 0.4375 1.0811 -0.8913   1.1022 0.3811 -0.8913
H6 0.8654 -1.0657 0.0000   -1.0196 0.9193 0.0000
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5 H6
C1 1.4230 1.0892 1.0963 1.0963 1.9561
O2 1.4230 2.0265 2.1003 2.1003 0.9624
H3 1.0892 2.0265 1.7708 1.7708 2.8291
H4 1.0963 2.1003 1.7708 1.7826 2.3635
H5 1.0963 2.1003 1.7708 1.7826 2.3635
H6 1.9561 0.9624 2.8291 2.3635 2.3635
Maximum atom distance is 2.8291Å 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 108.638 O2 C1 H3 106.792
O2 C1 H4 112.314 O2 C1 H5 112.314
H3 C1 H4 108.237 H3 C1 H5 108.237
H4 C1 H5 108.778

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