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Geometry for CH3OCH3 (Dimethyl ether) 1A1 C2V

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

TPSSh/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.5932   0.5932 0.0000 0.0000
C2 0.0000 1.1763 -0.1981   -0.1981 0.0000 1.1763
C3 0.0000 -1.1763 -0.1981   -0.1981 0.0000 -1.1763
H4 0.0000 2.0226 0.4913   0.4913 0.0000 2.0226
H5 0.0000 -2.0226 0.4913   0.4913 0.0000 -2.0226
H6 0.8949 1.2280 -0.8376   -0.8376 0.8949 1.2280
H7 -0.8949 1.2280 -0.8376   -0.8376 -0.8949 1.2280
H8 -0.8949 -1.2280 -0.8376   -0.8376 -0.8949 -1.2280
H9 0.8949 -1.2280 -0.8376   -0.8376 0.8949 -1.2280
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7 H8 H9
O1 1.4177 1.4177 2.0252 2.0252 2.0871 2.0871 2.0871 2.0871
C2 1.4177 2.3526 1.0915 3.2723 1.1011 1.1011 2.6440 2.6440
C3 1.4177 2.3526 3.2723 1.0915 2.6440 2.6440 1.1011 1.1011
H4 2.0252 1.0915 3.2723 4.0452 1.7883 1.7883 3.6240 3.6240
H5 2.0252 3.2723 1.0915 4.0452 3.6240 3.6240 1.7883 1.7883
H6 2.0871 1.1011 2.6440 1.7883 3.6240 1.7898 3.0390 2.4561
H7 2.0871 1.1011 2.6440 1.7883 3.6240 1.7898 2.4561 3.0390
H8 2.0871 2.6440 1.1011 3.6240 1.7883 3.0390 2.4561 1.7898
H9 2.0871 2.6440 1.1011 3.6240 1.7883 2.4561 3.0390 1.7898
Maximum atom distance is 4.0452Å 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 112.143
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 106.905 O1 C2 H6 111.292
O1 C2 H7 111.292 O1 C3 H5 106.905
O1 C3 H8 111.292 O1 C3 H9 111.292
H4 C2 H6 109.290 H4 C2 H7 109.290
H5 C3 H8 109.290 H5 C3 H9 109.290
H6 C2 H7 108.730 H8 C3 H9 108.730

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