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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/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.9132   0.0000 0.9132 0.0000
C2 0.0000 0.7484 -0.3966   0.7484 -0.3966 0.0000
C3 0.0000 -0.7484 -0.3966   -0.7484 -0.3966 0.0000
H4 0.9292 1.2775 -0.6367   1.2775 -0.6367 0.9292
H5 -0.9292 1.2775 -0.6367   1.2775 -0.6367 -0.9292
H6 -0.9292 -1.2775 -0.6367   -1.2775 -0.6367 -0.9292
H7 0.9292 -1.2775 -0.6367   -1.2775 -0.6367 0.9292
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.5085 1.5085 2.2130 2.2130 2.2130 2.2130
C2 1.5085 1.4969 1.0959 1.0959 2.2418 2.2418
C3 1.5085 1.4969 2.2418 2.2418 1.0959 1.0959
H4 2.2130 1.0959 2.2418 1.8584 3.1594 2.5550
H5 2.2130 1.0959 2.2418 1.8584 2.5550 3.1594
H6 2.2130 2.2418 1.0959 3.1594 2.5550 1.8584
H7 2.2130 2.2418 1.0959 2.5550 3.1594 1.8584
Maximum atom distance is 3.1594Å 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 60.255 O1 C3 C2 60.255
C2 O1 C3 59.489
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.452 O1 C2 H5 115.452
O1 C3 H6 115.452 O1 C3 H7 115.452
C2 C3 H6 118.868 C2 C3 H7 118.868
C3 C2 H4 118.868 C3 C2 H5 118.868
H4 C2 H5 115.965 H6 C3 H7 115.965

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