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Geometry for CH3OCH3 (Dimethyl ether) 1A1 C2V

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

PBEPBEultrafine/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 0.6002   0.0000 0.6002 0.0000
C2 0.0000 1.1683 -0.1982   1.1683 -0.1982 0.0000
C3 0.0000 -1.1683 -0.1982   -1.1683 -0.1982 0.0000
H4 0.0000 2.0302 0.4878   2.0302 0.4878 0.0000
H5 0.0000 -2.0302 0.4878   -2.0302 0.4878 0.0000
H6 0.8995 1.2270 -0.8498   1.2270 -0.8498 0.8995
H7 -0.8995 1.2270 -0.8498   1.2270 -0.8498 -0.8995
H8 -0.8995 -1.2270 -0.8498   -1.2270 -0.8498 -0.8995
H9 0.8995 -1.2270 -0.8498   -1.2270 -0.8498 0.8995
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7 H8 H9
O1 1.4150 1.4150 2.0333 2.0333 2.1017 2.1017 2.1017 2.1017
C2 1.4150 2.3366 1.1016 3.2712 1.1123 1.1123 2.6403 2.6403
C3 1.4150 2.3366 3.2712 1.1016 2.6403 2.6403 1.1123 1.1123
H4 2.0333 1.1016 3.2712 4.0605 1.8009 1.8009 3.6343 3.6343
H5 2.0333 3.2712 1.1016 4.0605 3.6343 3.6343 1.8009 1.8009
H6 2.1017 1.1123 2.6403 1.8009 3.6343 1.7991 3.0429 2.4540
H7 2.1017 1.1123 2.6403 1.8009 3.6343 1.7991 2.4540 3.0429
H8 2.1017 2.6403 1.1123 3.6343 1.8009 3.0429 2.4540 1.7991
H9 2.1017 2.6403 1.1123 3.6343 1.8009 2.4540 3.0429 1.7991
Maximum atom distance is 4.0605Å 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 111.307
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 107.139 O1 C2 H6 111.970
O1 C2 H7 111.970 O1 C3 H5 107.139
O1 C3 H8 111.970 O1 C3 H9 111.970
H4 C2 H6 108.873 H4 C2 H7 108.873
H5 C3 H8 108.873 H5 C3 H9 108.873
H6 C2 H7 107.943 H8 C3 H9 107.943

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