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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

B2PLYP/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 0.8602   0.8602 0.0000 0.0000
C2 0.0000 0.7336 -0.3768   -0.3768 0.0000 0.7336
C3 0.0000 -0.7336 -0.3768   -0.3768 0.0000 -0.7336
H4 0.9194 1.2699 -0.5901   -0.5901 0.9194 1.2699
H5 -0.9194 1.2699 -0.5901   -0.5901 -0.9194 1.2699
H6 -0.9194 -1.2699 -0.5901   -0.5901 -0.9194 -1.2699
H7 0.9194 -1.2699 -0.5901   -0.5901 0.9194 -1.2699
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4381 1.4381 2.1357 2.1357 2.1357 2.1357
C2 1.4381 1.4672 1.0856 1.0856 2.2147 2.2147
C3 1.4381 1.4672 2.2147 2.2147 1.0856 1.0856
H4 2.1357 1.0856 2.2147 1.8388 3.1356 2.5399
H5 2.1357 1.0856 2.2147 1.8388 2.5399 3.1356
H6 2.1357 2.2147 1.0856 3.1356 2.5399 1.8388
H7 2.1357 2.2147 1.0856 2.5399 3.1356 1.8388
Maximum atom distance is 3.1356Å 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 59.330 O1 C3 C2 59.330
C2 O1 C3 61.340
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 114.900 O1 C2 H5 114.900
O1 C3 H6 114.900 O1 C3 H7 114.900
C2 C3 H6 119.608 C2 C3 H7 119.608
C3 C2 H4 119.608 C3 C2 H5 119.608
H4 C2 H5 115.758 H6 C3 H7 115.758

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