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Geometry for C2H6 (Ethane) 1A1g D3D

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

CCSD(T)/cc-pVQZ


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7634   0.0000 0.7634 0.0000
C2 0.0000 0.0000 -0.7634   0.0000 -0.7634 0.0000
H3 0.0000 1.0170 1.1579   1.0170 1.1579 0.0000
H4 -0.8807 -0.5085 1.1579   -0.5085 1.1579 -0.8807
H5 0.8807 -0.5085 1.1579   -0.5085 1.1579 0.8807
H6 0.0000 -1.0170 -1.1579   -1.0170 -1.1579 0.0000
H7 -0.8807 0.5085 -1.1579   0.5085 -1.1579 -0.8807
H8 0.8807 0.5085 -1.1579   0.5085 -1.1579 0.8807
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5268 1.0908 1.0908 1.0908 2.1738 2.1738 2.1738
C2 1.5268 2.1738 2.1738 2.1738 1.0908 1.0908 1.0908
H3 1.0908 2.1738 1.7615 1.7615 3.0822 2.5292 2.5292
H4 1.0908 2.1738 1.7615 1.7615 2.5292 2.5292 3.0822
H5 1.0908 2.1738 1.7615 1.7615 2.5292 3.0822 2.5292
H6 2.1738 1.0908 3.0822 2.5292 2.5292 1.7615 1.7615
H7 2.1738 1.0908 2.5292 2.5292 3.0822 1.7615 1.7615
H8 2.1738 1.0908 2.5292 3.0822 2.5292 1.7615 1.7615
Maximum atom distance is 3.0822Å 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 111.202 C1 C2 H7 111.202
C1 C2 H8 111.202 C2 C1 H3 111.202
C2 C1 H4 111.202 C2 C1 H5 111.202
H3 C1 H4 107.687 H3 C1 H5 107.687
H4 C1 H5 107.687 H6 C2 H7 107.687
H6 C2 H8 107.687 H7 C2 H8 107.687

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