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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

B1B95/6-31G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8453   0.8453 0.0000 0.0000
C2 0.0000 0.7306 -0.3671   -0.3671 0.0000 0.7306
C3 0.0000 -0.7306 -0.3671   -0.3671 0.0000 -0.7306
H4 0.9191 1.2679 -0.5894   -0.5894 0.9191 1.2679
H5 -0.9191 1.2679 -0.5894   -0.5894 -0.9191 1.2679
H6 -0.9191 -1.2679 -0.5894   -0.5894 -0.9191 -1.2679
H7 0.9191 -1.2679 -0.5894   -0.5894 0.9191 -1.2679
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4155 1.4155 2.1239 2.1239 2.1239 2.1239
C2 1.4155 1.4612 1.0876 1.0876 2.2109 2.2109
C3 1.4155 1.4612 2.2109 2.2109 1.0876 1.0876
H4 2.1239 1.0876 2.2109 1.8383 3.1321 2.5359
H5 2.1239 1.0876 2.2109 1.8383 2.5359 3.1321
H6 2.1239 2.2109 1.0876 3.1321 2.5359 1.8383
H7 2.1239 2.2109 1.0876 2.5359 3.1321 1.8383
Maximum atom distance is 3.1321Å 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 58.927 O1 C3 C2 58.927
C2 O1 C3 62.145
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.470 O1 C2 H5 115.470
O1 C3 H6 115.470 O1 C3 H7 115.470
C2 C3 H6 119.607 C2 C3 H7 119.607
C3 C2 H4 119.607 C3 C2 H5 119.607
H4 C2 H5 115.360 H6 C3 H7 115.360

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