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Geometry for C2H6 (Ethane) 1A1g D3D

1910171554
InChI=1S/C2H6/c1-2/h1-2H3 INChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N

wB97X-D/SDD


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7695   0.7695 0.0000 0.0000
C2 0.0000 0.0000 -0.7695   -0.7695 0.0000 0.0000
H3 0.0000 1.0224 1.1629   1.1629 0.9382 0.4063
H4 -0.8854 -0.5112 1.1629   1.1629 -0.1173 -1.0157
H5 0.8854 -0.5112 1.1629   1.1629 -0.8210 0.6094
H6 0.0000 -1.0224 -1.1629   -1.1629 -0.9382 -0.4063
H7 -0.8854 0.5112 -1.1629   -1.1629 0.8210 -0.6094
H8 0.8854 0.5112 -1.1629   -1.1629 0.1173 1.0157
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5391 1.0955 1.0955 1.0955 2.1863 2.1863 2.1863
C2 1.5391 2.1863 2.1863 2.1863 1.0955 1.0955 1.0955
H3 1.0955 2.1863 1.7709 1.7709 3.0969 2.5406 2.5406
H4 1.0955 2.1863 1.7709 1.7709 2.5406 2.5406 3.0969
H5 1.0955 2.1863 1.7709 1.7709 2.5406 3.0969 2.5406
H6 2.1863 1.0955 3.0969 2.5406 2.5406 1.7709 1.7709
H7 2.1863 1.0955 2.5406 2.5406 3.0969 1.7709 1.7709
H8 2.1863 1.0955 2.5406 3.0969 2.5406 1.7709 1.7709
Maximum atom distance is 3.0969Å between atoms H4 and H8.
picture of Ethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 111.043 C1 C2 H7 111.043
C1 C2 H8 111.043 C2 C1 H3 111.043
C2 C1 H4 111.043 C2 C1 H5 111.043
H3 C1 H4 107.854 H3 C1 H5 107.854
H4 C1 H5 107.854 H6 C2 H7 107.854
H6 C2 H8 107.854 H7 C2 H8 107.854

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