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Geometry for CH3OH (Methyl alcohol) 1A' CS

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

CCD/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0466 0.6628 0.0000   0.6595 -0.0808 0.0000
O2 -0.0466 -0.7549 0.0000   -0.7563 -0.0075 0.0000
H3 -1.0873 0.9787 0.0000   0.9212 -1.1364 0.0000
H4 0.4391 1.0707 0.8899   1.0919 0.3832 0.8899
H5 0.4391 1.0707 -0.8899   1.0919 0.3832 -0.8899
H6 0.8612 -1.0577 0.0000   -1.0118 0.9147 0.0000
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5 H6
C1 1.4177 1.0876 1.0928 1.0928 1.9453
O2 1.4177 2.0220 2.0882 2.0882 0.9569
H3 1.0876 2.0220 1.7692 1.7692 2.8184
H4 1.0928 2.0882 1.7692 1.7798 2.3452
H5 1.0928 2.0882 1.7692 1.7798 2.3452
H6 1.9453 0.9569 2.8184 2.3452 2.3452
Maximum atom distance is 2.8184Å 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 108.446 O2 C1 H3 106.886
O2 C1 H4 111.914 O2 C1 H5 111.914
H3 C1 H4 108.475 H3 C1 H5 108.475
H4 C1 H5 109.047

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