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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

MP3=FULL/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8441   0.0000 0.8441 0.0000
C2 0.0000 0.7302 -0.3667   0.7302 -0.3667 0.0000
C3 0.0000 -0.7302 -0.3667   -0.7302 -0.3667 0.0000
H4 0.9135 1.2556 -0.5880   1.2556 -0.5880 0.9135
H5 -0.9135 1.2556 -0.5880   1.2556 -0.5880 -0.9135
H6 -0.9135 -1.2556 -0.5880   -1.2556 -0.5880 -0.9135
H7 0.9135 -1.2556 -0.5880   -1.2556 -0.5880 0.9135
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4140 1.4140 2.1124 2.1124 2.1124 2.1124
C2 1.4140 1.4604 1.0768 1.0768 2.1970 2.1970
C3 1.4140 1.4604 2.1970 2.1970 1.0768 1.0768
H4 2.1124 1.0768 2.1970 1.8271 3.1056 2.5112
H5 2.1124 1.0768 2.1970 1.8271 2.5112 3.1056
H6 2.1124 2.1970 1.0768 3.1056 2.5112 1.8271
H7 2.1124 2.1970 1.0768 2.5112 3.1056 1.8271
Maximum atom distance is 3.1056Å 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 58.909 O1 C3 C2 58.909
C2 O1 C3 62.183
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.336 O1 C2 H5 115.336
O1 C3 H6 115.336 O1 C3 H7 115.336
C2 C3 H6 119.205 C2 C3 H7 119.205
C3 C2 H4 119.205 C3 C2 H5 119.205
H4 C2 H5 116.066 H6 C3 H7 116.066

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