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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

BLYP/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 0.8683   0.0000 0.8683 0.0000
C2 0.0000 0.7374 -0.3785   0.7374 -0.3785 0.0000
C3 0.0000 -0.7374 -0.3785   -0.7374 -0.3785 0.0000
H4 0.9233 1.2758 -0.6012   1.2758 -0.6012 0.9233
H5 -0.9233 1.2758 -0.6012   1.2758 -0.6012 -0.9233
H6 -0.9233 -1.2758 -0.6012   -1.2758 -0.6012 -0.9233
H7 0.9233 -1.2758 -0.6012   -1.2758 -0.6012 0.9233
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4485 1.4485 2.1540 2.1540 2.1540 2.1540
C2 1.4485 1.4749 1.0917 1.0917 2.2260 2.2260
C3 1.4485 1.4749 2.2260 2.2260 1.0917 1.0917
H4 2.1540 1.0917 2.2260 1.8465 3.1497 2.5516
H5 2.1540 1.0917 2.2260 1.8465 2.5516 3.1497
H6 2.1540 2.2260 1.0917 3.1497 2.5516 1.8465
H7 2.1540 2.2260 1.0917 2.5516 3.1497 1.8465
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 59.396 O1 C3 C2 59.396
C2 O1 C3 61.207
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.255 O1 C2 H5 115.255
O1 C3 H6 115.255 O1 C3 H7 115.255
C2 C3 H6 119.547 C2 C3 H7 119.547
C3 C2 H4 119.547 C3 C2 H5 119.547
H4 C2 H5 115.492 H6 C3 H7 115.492

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