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Geometry for CH3OCH3 (Dimethyl ether) 1A1 C2V

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

B97D3/6-31G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.5980   0.0000 0.5980 0.0000
C2 0.0000 1.1721 -0.1977   1.1721 -0.1977 0.0000
C3 0.0000 -1.1721 -0.1977   -1.1721 -0.1977 0.0000
H4 0.0000 2.0289 0.4868   2.0289 0.4868 0.0000
H5 0.0000 -2.0289 0.4868   -2.0289 0.4868 0.0000
H6 0.8953 1.2317 -0.8462   1.2317 -0.8462 0.8953
H7 -0.8953 1.2317 -0.8462   1.2317 -0.8462 -0.8953
H8 -0.8953 -1.2317 -0.8462   -1.2317 -0.8462 -0.8953
H9 0.8953 -1.2317 -0.8462   -1.2317 -0.8462 0.8953
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7 H8 H9
O1 1.4167 1.4167 2.0319 2.0319 2.0986 2.0986 2.0986 2.0986
C2 1.4167 2.3443 1.0967 3.2734 1.1071 1.1071 2.6458 2.6458
C3 1.4167 2.3443 3.2734 1.0967 2.6458 2.6458 1.1071 1.1071
H4 2.0319 1.0967 3.2734 4.0578 1.7928 1.7928 3.6345 3.6345
H5 2.0319 3.2734 1.0967 4.0578 3.6345 3.6345 1.7928 1.7928
H6 2.0986 1.1071 2.6458 1.7928 3.6345 1.7907 3.0454 2.4634
H7 2.0986 1.1071 2.6458 1.7928 3.6345 1.7907 2.4634 3.0454
H8 2.0986 2.6458 1.1071 3.6345 1.7928 3.0454 2.4634 1.7907
H9 2.0986 2.6458 1.1071 3.6345 1.7928 2.4634 3.0454 1.7907
Maximum atom distance is 4.0578Å 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 111.659
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 107.205 O1 C2 H6 111.929
O1 C2 H7 111.929 O1 C3 H5 107.205
O1 C3 H8 111.929 O1 C3 H9 111.929
H4 C2 H6 108.881 H4 C2 H7 108.881
H5 C3 H8 108.881 H5 C3 H9 108.881
H6 C2 H7 107.944 H8 C3 H9 107.944

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