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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=FULL/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 0.8599   0.8599 0.0000 0.0000
C2 0.0000 0.7334 -0.3766   -0.3766 0.0000 0.7334
C3 0.0000 -0.7334 -0.3766   -0.3766 0.0000 -0.7334
H4 0.9191 1.2695 -0.5900   -0.5900 0.9191 1.2695
H5 -0.9191 1.2695 -0.5900   -0.5900 -0.9191 1.2695
H6 -0.9191 -1.2695 -0.5900   -0.5900 -0.9191 -1.2695
H7 0.9191 -1.2695 -0.5900   -0.5900 0.9191 -1.2695
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4376 1.4376 2.1351 2.1351 2.1351 2.1351
C2 1.4376 1.4667 1.0853 1.0853 2.2140 2.2140
C3 1.4376 1.4667 2.2140 2.2140 1.0853 1.0853
H4 2.1351 1.0853 2.2140 1.8383 3.1347 2.5391
H5 2.1351 1.0853 2.2140 1.8383 2.5391 3.1347
H6 2.1351 2.2140 1.0853 3.1347 2.5391 1.8383
H7 2.1351 2.2140 1.0853 2.5391 3.1347 1.8383
Maximum atom distance is 3.1347Å 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 59.328 O1 C3 C2 59.328
C2 O1 C3 61.344
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 114.905 O1 C2 H5 114.905
O1 C3 H6 114.905 O1 C3 H7 114.905
C2 C3 H6 119.608 C2 C3 H7 119.608
C3 C2 H4 119.608 C3 C2 H5 119.608
H4 C2 H5 115.755 H6 C3 H7 115.755

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