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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/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8566   0.0000 0.8566 0.0000
C2 0.0000 0.7350 -0.3719   0.7350 -0.3719 0.0000
C3 0.0000 -0.7350 -0.3719   -0.7350 -0.3719 0.0000
H4 0.9264 1.2736 -0.5975   1.2736 -0.5975 0.9264
H5 -0.9264 1.2736 -0.5975   1.2736 -0.5975 -0.9264
H6 -0.9264 -1.2736 -0.5975   -1.2736 -0.5975 -0.9264
H7 0.9264 -1.2736 -0.5975   -1.2736 -0.5975 0.9264
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4315 1.4315 2.1434 2.1434 2.1434 2.1434
C2 1.4315 1.4701 1.0951 1.0951 2.2234 2.2234
C3 1.4315 1.4701 2.2234 2.2234 1.0951 1.0951
H4 2.1434 1.0951 2.2234 1.8528 3.1497 2.5471
H5 2.1434 1.0951 2.2234 1.8528 2.5471 3.1497
H6 2.1434 2.2234 1.0951 3.1497 2.5471 1.8528
H7 2.1434 2.2234 1.0951 2.5471 3.1497 1.8528
Maximum atom distance is 3.1497Å 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 59.106 O1 C3 C2 59.106
C2 O1 C3 61.789
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.421 O1 C2 H5 115.421
O1 C3 H6 115.421 O1 C3 H7 115.421
C2 C3 H6 119.458 C2 C3 H7 119.458
C3 C2 H4 119.458 C3 C2 H5 119.458
H4 C2 H5 115.559 H6 C3 H7 115.559

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