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Geometry for CH3OH (Methyl alcohol) 1A' CS

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

B1B95/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0469 0.6760 0.0000   0.6728 -0.0814 0.0000
O2 -0.0469 -0.7725 0.0000   -0.7739 -0.0073 0.0000
H3 -1.0953 0.9723 0.0000   0.9149 -1.1436 0.0000
H4 0.4279 1.1108 0.8893   1.1312 0.3704 0.8893
H5 0.4279 1.1108 -0.8893   1.1312 0.3704 -0.8893
H6 0.8961 -1.0701 0.0000   -1.0228 0.9497 0.0000
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5 H6
C1 1.4485 1.0894 1.0978 1.0978 1.9845
O2 1.4485 2.0355 2.1361 2.1361 0.9889
H3 1.0894 2.0355 1.7692 1.7692 2.8525
H4 1.0978 2.1361 1.7692 1.7786 2.4013
H5 1.0978 2.1361 1.7692 1.7786 2.4013
H6 1.9845 0.9889 2.8525 2.4013 2.4013
Maximum atom distance is 2.8525Å 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 107.515 O2 C1 H3 105.779
O2 C1 H4 113.327 O2 C1 H5 113.327
H3 C1 H4 107.969 H3 C1 H5 107.969
H4 C1 H5 108.202

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