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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

PBEPBE/Def2TZVPP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8594   0.0000 0.8594 0.0000
C2 0.0000 0.7346 -0.3739   0.7346 -0.3739 0.0000
C3 0.0000 -0.7346 -0.3739   -0.7346 -0.3739 0.0000
H4 0.9263 1.2727 -0.5971   1.2727 -0.5971 0.9263
H5 -0.9263 1.2727 -0.5971   1.2727 -0.5971 -0.9263
H6 -0.9263 -1.2727 -0.5971   -1.2727 -0.5971 -0.9263
H7 0.9263 -1.2727 -0.5971   -1.2727 -0.5971 0.9263
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4355 1.4355 2.1445 2.1445 2.1445 2.1445
C2 1.4355 1.4693 1.0942 1.0942 2.2220 2.2220
C3 1.4355 1.4693 2.2220 2.2220 1.0942 1.0942
H4 2.1445 1.0942 2.2220 1.8525 3.1482 2.5454
H5 2.1445 1.0942 2.2220 1.8525 2.5454 3.1482
H6 2.1445 2.2220 1.0942 3.1482 2.5454 1.8525
H7 2.1445 2.2220 1.0942 2.5454 3.1482 1.8525
Maximum atom distance is 3.1482Å 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 59.218 O1 C3 C2 59.218
C2 O1 C3 61.564
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.271 O1 C2 H5 115.271
O1 C3 H6 115.271 O1 C3 H7 115.271
C2 C3 H6 119.455 C2 C3 H7 119.455
C3 C2 H4 119.455 C3 C2 H5 119.455
H4 C2 H5 115.669 H6 C3 H7 115.669

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