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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

B1B95/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8446   0.8446 0.0000 0.0000
C2 0.0000 0.7299 -0.3667   -0.3667 0.0000 0.7299
C3 0.0000 -0.7299 -0.3667   -0.3667 0.0000 -0.7299
H4 0.9182 1.2635 -0.5891   -0.5891 0.9182 1.2635
H5 -0.9182 1.2635 -0.5891   -0.5891 -0.9182 1.2635
H6 -0.9182 -1.2635 -0.5891   -0.5891 -0.9182 -1.2635
H7 0.9182 -1.2635 -0.5891   -0.5891 0.9182 -1.2635
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4142 1.4142 2.1202 2.1202 2.1202 2.1202
C2 1.4142 1.4598 1.0850 1.0850 2.2060 2.2060
C3 1.4142 1.4598 2.2060 2.2060 1.0850 1.0850
H4 2.1202 1.0850 2.2060 1.8364 3.1238 2.5270
H5 2.1202 1.0850 2.2060 1.8364 2.5270 3.1238
H6 2.1202 2.2060 1.0850 3.1238 2.5270 1.8364
H7 2.1202 2.2060 1.0850 2.5270 3.1238 1.8364
Maximum atom distance is 3.1238Å 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 58.928 O1 C3 C2 58.928
C2 O1 C3 62.144
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.429 O1 C2 H5 115.429
O1 C3 H6 115.429 O1 C3 H7 115.429
C2 C3 H6 119.459 C2 C3 H7 119.459
C3 C2 H4 119.459 C3 C2 H5 119.459
H4 C2 H5 115.610 H6 C3 H7 115.610

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