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Geometry for CH3OCH3 (Dimethyl ether) 1A1 C2V

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

PBE1PBE/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 0.5902   0.0000 0.5902 0.0000
C2 0.0000 1.1592 -0.1945   1.1592 -0.1945 0.0000
C3 0.0000 -1.1592 -0.1945   -1.1592 -0.1945 0.0000
H4 0.0000 2.0149 0.4857   2.0149 0.4857 0.0000
H5 0.0000 -2.0149 0.4857   -2.0149 0.4857 0.0000
H6 0.8924 1.2175 -0.8396   1.2175 -0.8396 0.8924
H7 -0.8924 1.2175 -0.8396   1.2175 -0.8396 -0.8924
H8 -0.8924 -1.2175 -0.8396   -1.2175 -0.8396 -0.8924
H9 0.8924 -1.2175 -0.8396   -1.2175 -0.8396 0.8924
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7 H8 H9
O1 1.3998 1.3998 2.0176 2.0176 2.0791 2.0791 2.0791 2.0791
C2 1.3998 2.3184 1.0931 3.2461 1.1027 1.1027 2.6194 2.6194
C3 1.3998 2.3184 3.2461 1.0931 2.6194 2.6194 1.1027 1.1027
H4 2.0176 1.0931 3.2461 4.0298 1.7857 1.7857 3.6057 3.6057
H5 2.0176 3.2461 1.0931 4.0298 3.6057 3.6057 1.7857 1.7857
H6 2.0791 1.1027 2.6194 1.7857 3.6057 1.7848 3.0190 2.4349
H7 2.0791 1.1027 2.6194 1.7857 3.6057 1.7848 2.4349 3.0190
H8 2.0791 2.6194 1.1027 3.6057 1.7857 3.0190 2.4349 1.7848
H9 2.0791 2.6194 1.1027 3.6057 1.7857 2.4349 3.0190 1.7848
Maximum atom distance is 4.0298Å 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 111.812
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 107.425 O1 C2 H6 111.820
O1 C2 H7 111.820 O1 C3 H5 107.425
O1 C3 H8 111.820 O1 C3 H9 111.820
H4 C2 H6 108.825 H4 C2 H7 108.825
H5 C3 H8 108.825 H5 C3 H9 108.825
H6 C2 H7 108.053 H8 C3 H9 108.053

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