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Geometry for CH3OH (Methyl alcohol) 1A' CS

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

PBE1PBE/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0463 0.6534 0.0000   0.6501 -0.0800 0.0000
O2 -0.0463 -0.7518 0.0000   -0.7532 -0.0075 0.0000
H3 -1.0916 0.9749 0.0000   0.9173 -1.1404 0.0000
H4 0.4369 1.0808 0.8914   1.1019 0.3806 0.8914
H5 0.4369 1.0808 -0.8914   1.1019 0.3806 -0.8914
H6 0.8664 -1.0426 0.0000   -0.9965 0.9191 0.0000
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5 H6
C1 1.4051 1.0936 1.1004 1.1004 1.9260
O2 1.4051 2.0184 2.0944 2.0944 0.9580
H3 1.0936 2.0184 1.7726 1.7726 2.8114
H4 1.1004 2.0944 1.7726 1.7829 2.3426
H5 1.1004 2.0944 1.7726 1.7829 2.3426
H6 1.9260 0.9580 2.8114 2.3426 2.3426
Maximum atom distance is 2.8114Å 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 107.672 O2 C1 H3 107.100
O2 C1 H4 112.857 O2 C1 H5 112.857
H3 C1 H4 107.791 H3 C1 H5 107.791
H4 C1 H5 108.211

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