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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

B3LYPultrafine/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 0.8572   0.0000 0.8572 0.0000
C2 0.0000 0.7352 -0.3747   0.7352 -0.3747 0.0000
C3 0.0000 -0.7352 -0.3747   -0.7352 -0.3747 0.0000
H4 0.9216 1.2740 -0.5903   1.2740 -0.5903 0.9216
H5 -0.9216 1.2740 -0.5903   1.2740 -0.5903 -0.9216
H6 -0.9216 -1.2740 -0.5903   -1.2740 -0.5903 -0.9216
H7 0.9216 -1.2740 -0.5903   -1.2740 -0.5903 0.9216
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4346 1.4346 2.1372 2.1372 2.1372 2.1372
C2 1.4346 1.4703 1.0891 1.0891 2.2209 2.2209
C3 1.4346 1.4703 2.2209 2.2209 1.0891 1.0891
H4 2.1372 1.0891 2.2209 1.8433 3.1448 2.5480
H5 2.1372 1.0891 2.2209 1.8433 2.5480 3.1448
H6 2.1372 2.2209 1.0891 3.1448 2.5480 1.8433
H7 2.1372 2.2209 1.0891 2.5480 3.1448 1.8433
Maximum atom distance is 3.1448Å 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 59.173 O1 C3 C2 59.173
C2 O1 C3 61.653
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.054 O1 C2 H5 115.054
O1 C3 H6 115.054 O1 C3 H7 115.054
C2 C3 H6 119.652 C2 C3 H7 119.652
C3 C2 H4 119.652 C3 C2 H5 119.652
H4 C2 H5 115.603 H6 C3 H7 115.603

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