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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/CEP-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 0.9056   0.9056 0.0000 0.0000
C2 0.0000 0.7528 -0.4004   -0.4004 0.0000 0.7528
C3 0.0000 -0.7528 -0.4004   -0.4004 0.0000 -0.7528
H4 0.9276 1.2941 -0.6101   -0.6101 0.9276 1.2941
H5 -0.9276 1.2941 -0.6101   -0.6101 -0.9276 1.2941
H6 -0.9276 -1.2941 -0.6101   -0.6101 -0.9276 -1.2941
H7 0.9276 -1.2941 -0.6101   -0.6101 0.9276 -1.2941
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.5074 1.5074 2.1984 2.1984 2.1984 2.1984
C2 1.5074 1.5056 1.0943 1.0943 2.2571 2.2571
C3 1.5074 1.5056 2.2571 2.2571 1.0943 1.0943
H4 2.1984 1.0943 2.2571 1.8553 3.1845 2.5883
H5 2.1984 1.0943 2.2571 1.8553 2.5883 3.1845
H6 2.1984 2.2571 1.0943 3.1845 2.5883 1.8553
H7 2.1984 2.2571 1.0943 2.5883 3.1845 1.8553
Maximum atom distance is 3.1845Å 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 60.041 O1 C3 C2 60.041
C2 O1 C3 59.918
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 114.401 O1 C2 H5 114.401
O1 C3 H6 114.401 O1 C3 H7 114.401
C2 C3 H6 119.649 C2 C3 H7 119.649
C3 C2 H4 119.649 C3 C2 H5 119.649
H4 C2 H5 115.917 H6 C3 H7 115.917

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