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Geometry for CH3OCH3 (Dimethyl ether) 1A1 C2V

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

CID/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 0.5886   0.5886 0.0000 0.0000
C2 0.0000 1.1655 -0.1957   -0.1957 0.0000 1.1655
C3 0.0000 -1.1655 -0.1957   -0.1957 0.0000 -1.1655
H4 0.0000 2.0124 0.4867   0.4867 0.0000 2.0124
H5 0.0000 -2.0124 0.4867   0.4867 0.0000 -2.0124
H6 0.8892 1.2196 -0.8336   -0.8336 0.8892 1.2196
H7 -0.8892 1.2196 -0.8336   -0.8336 -0.8892 1.2196
H8 -0.8892 -1.2196 -0.8336   -0.8336 -0.8892 -1.2196
H9 0.8892 -1.2196 -0.8336   -0.8336 0.8892 -1.2196
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7 H8 H9
O1 1.4048 1.4048 2.0149 2.0149 2.0738 2.0738 2.0738 2.0738
C2 1.4048 2.3310 1.0876 3.2503 1.0957 1.0957 2.6242 2.6242
C3 1.4048 2.3310 3.2503 1.0876 2.6242 2.6242 1.0957 1.0957
H4 2.0149 1.0876 3.2503 4.0247 1.7783 1.7783 3.6027 3.6027
H5 2.0149 3.2503 1.0876 4.0247 3.6027 3.6027 1.7783 1.7783
H6 2.0738 1.0957 2.6242 1.7783 3.6027 1.7784 3.0187 2.4392
H7 2.0738 1.0957 2.6242 1.7783 3.6027 1.7784 2.4392 3.0187
H8 2.0738 2.6242 1.0957 3.6027 1.7783 3.0187 2.4392 1.7784
H9 2.0738 2.6242 1.0957 3.6027 1.7783 2.4392 3.0187 1.7784
Maximum atom distance is 4.0247Å 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 112.127
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 107.202 O1 C2 H6 111.468
O1 C2 H7 111.468 O1 C3 H5 107.202
O1 C3 H8 111.468 O1 C3 H9 111.468
H4 C2 H6 109.077 H4 C2 H7 109.077
H5 C3 H8 109.077 H5 C3 H9 109.077
H6 C2 H7 108.496 H8 C3 H9 108.496

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