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Geometry for C2H4O (Ethylene oxide) 1A1 C2V

1910171554
InChI=1S/C2H4O/c1-2-3-1/h1-2H2 INChIKey=IAYPIBMASNFSPL-UHFFFAOYSA-N

QCISD(T)=FULL/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 0.8631   0.0000 0.8631 0.0000
C2 0.0000 0.7353 -0.3780   0.7353 -0.3780 0.0000
C3 0.0000 -0.7353 -0.3780   -0.7353 -0.3780 0.0000
H4 0.9186 1.2702 -0.5921   1.2702 -0.5921 0.9186
H5 -0.9186 1.2702 -0.5921   1.2702 -0.5921 -0.9186
H6 -0.9186 -1.2702 -0.5921   -1.2702 -0.5921 -0.9186
H7 0.9186 -1.2702 -0.5921   -1.2702 -0.5921 0.9186
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4426 1.4426 2.1389 2.1389 2.1389 2.1389
C2 1.4426 1.4706 1.0844 1.0844 2.2163 2.2163
C3 1.4426 1.4706 2.2163 2.2163 1.0844 1.0844
H4 2.1389 1.0844 2.2163 1.8372 3.1352 2.5405
H5 2.1389 1.0844 2.2163 1.8372 2.5405 3.1352
H6 2.1389 2.2163 1.0844 3.1352 2.5405 1.8372
H7 2.1389 2.2163 1.0844 2.5405 3.1352 1.8372
Maximum atom distance is 3.1352Å between atoms H4 and H6.
picture of Ethylene oxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 C3 59.356 O1 C3 C2 59.356
C2 O1 C3 61.288
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 114.917 O1 C2 H5 114.917
O1 C3 H6 114.917 O1 C3 H7 114.917
C2 C3 H6 119.558 C2 C3 H7 119.558
C3 C2 H4 119.558 C3 C2 H5 119.558
H4 C2 H5 115.806 H6 C3 H7 115.806

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