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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

B3LYP/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 0.8989   0.8989 0.0000 0.0000
C2 0.0000 0.7398 -0.3952   -0.3952 0.0000 0.7398
C3 0.0000 -0.7398 -0.3952   -0.3952 0.0000 -0.7398
H4 0.9179 1.2780 -0.6121   -0.6121 0.9179 1.2780
H5 -0.9179 1.2780 -0.6121   -0.6121 -0.9179 1.2780
H6 -0.9179 -1.2780 -0.6121   -0.6121 -0.9179 -1.2780
H7 0.9179 -1.2780 -0.6121   -0.6121 0.9179 -1.2780
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4906 1.4906 2.1815 2.1815 2.1815 2.1815
C2 1.4906 1.4795 1.0860 1.0860 2.2273 2.2273
C3 1.4906 1.4795 2.2273 2.2273 1.0860 1.0860
H4 2.1815 1.0860 2.2273 1.8359 3.1470 2.5559
H5 2.1815 1.0860 2.2273 1.8359 2.5559 3.1470
H6 2.1815 2.2273 1.0860 3.1470 2.5559 1.8359
H7 2.1815 2.2273 1.0860 2.5559 3.1470 1.8359
Maximum atom distance is 3.1470Å 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 60.247 O1 C3 C2 60.247
C2 O1 C3 59.507
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 114.795 O1 C2 H5 114.795
O1 C3 H6 114.795 O1 C3 H7 114.795
C2 C3 H6 119.709 C2 C3 H7 119.709
C3 C2 H4 119.709 C3 C2 H5 119.709
H4 C2 H5 115.402 H6 C3 H7 115.402

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