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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

M06-2X/TZVP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8433   0.0000 0.8433 0.0000
C2 0.0000 0.7330 -0.3670   0.7330 -0.3670 0.0000
C3 0.0000 -0.7330 -0.3670   -0.7330 -0.3670 0.0000
H4 0.9197 1.2640 -0.5858   1.2640 -0.5858 0.9197
H5 -0.9197 1.2640 -0.5858   1.2640 -0.5858 -0.9197
H6 -0.9197 -1.2640 -0.5858   -1.2640 -0.5858 -0.9197
H7 0.9197 -1.2640 -0.5858   -1.2640 -0.5858 0.9197
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4150 1.4150 2.1180 2.1180 2.1180 2.1180
C2 1.4150 1.4660 1.0843 1.0843 2.2095 2.2095
C3 1.4150 1.4660 2.2095 2.2095 1.0843 1.0843
H4 2.1180 1.0843 2.2095 1.8395 3.1264 2.5280
H5 2.1180 1.0843 2.2095 1.8395 2.5280 3.1264
H6 2.1180 2.2095 1.0843 3.1264 2.5280 1.8395
H7 2.1180 2.2095 1.0843 2.5280 3.1264 1.8395
Maximum atom distance is 3.1264Å 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 58.800 O1 C3 C2 58.800
C2 O1 C3 62.401
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.231 O1 C2 H5 115.231
O1 C3 H6 115.231 O1 C3 H7 115.231
C2 C3 H6 119.321 C2 C3 H7 119.321
C3 C2 H4 119.321 C3 C2 H5 119.321
H4 C2 H5 116.037 H6 C3 H7 116.037

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