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Geometry for CH3OCH3 (Dimethyl ether) 1A1 C2V

1910171554
InChI=1S/C2H6O/c1-3-2/h1-2H3 INChIKey=LCGLNKUTAGEVQW-UHFFFAOYSA-N

HSEh1PBE/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.5886   0.0000 0.5886 0.0000
C2 0.0000 1.1599 -0.1941   1.1599 -0.1941 0.0000
C3 0.0000 -1.1599 -0.1941   -1.1599 -0.1941 0.0000
H4 0.0000 2.0139 0.4841   2.0139 0.4841 0.0000
H5 0.0000 -2.0139 0.4841   -2.0139 0.4841 0.0000
H6 0.8914 1.2169 -0.8371   1.2169 -0.8371 0.8914
H7 -0.8914 1.2169 -0.8371   1.2169 -0.8371 -0.8914
H8 -0.8914 -1.2169 -0.8371   -1.2169 -0.8371 -0.8914
H9 0.8914 -1.2169 -0.8371   -1.2169 -0.8371 0.8914
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7 H8 H9
O1 1.3993 1.3993 2.0166 2.0166 2.0756 2.0756 2.0756 2.0756
C2 1.3993 2.3198 1.0905 3.2454 1.1006 1.1006 2.6186 2.6186
C3 1.3993 2.3198 3.2454 1.0905 2.6186 2.6186 1.1006 1.1006
H4 2.0166 1.0905 3.2454 4.0278 1.7820 1.7820 3.6025 3.6025
H5 2.0166 3.2454 1.0905 4.0278 3.6025 3.6025 1.7820 1.7820
H6 2.0756 1.1006 2.6186 1.7820 3.6025 1.7827 3.0168 2.4338
H7 2.0756 1.1006 2.6186 1.7820 3.6025 1.7827 2.4338 3.0168
H8 2.0756 2.6186 1.1006 3.6025 1.7820 3.0168 2.4338 1.7827
H9 2.0756 2.6186 1.1006 3.6025 1.7820 2.4338 3.0168 1.7827
Maximum atom distance is 4.0278Å between atoms H4 and H5.
picture of Dimethyl ether
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 O1 C3 111.978
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 107.536 O1 C2 H6 111.701
O1 C2 H7 111.701 O1 C3 H5 107.536
O1 C3 H8 111.701 O1 C3 H9 111.701
H4 C2 H6 108.833 H4 C2 H7 108.833
H5 C3 H8 108.833 H5 C3 H9 108.833
H6 C2 H7 108.169 H8 C3 H9 108.169

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