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Geometry for C2H6 (Ethane) 1A1g D3D

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

QCISD/cc-pVDZ


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7669   0.0000 -0.7669 0.0000
C2 0.0000 0.0000 -0.7669   0.0000 0.7669 -0.0000
H3 0.0000 1.0304 1.1673   1.0304 -1.1673 0.0000
H4 -0.8923 -0.5152 1.1673   -0.5152 -1.1673 0.8923
H5 0.8923 -0.5152 1.1673   -0.5152 -1.1673 -0.8923
H6 0.0000 -1.0304 -1.1673   -1.0304 1.1673 -0.0000
H7 -0.8923 0.5152 -1.1673   0.5152 1.1673 0.8923
H8 0.8923 0.5152 -1.1673   0.5152 1.1673 -0.8923
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5338 1.1054 1.1054 1.1054 2.1915 2.1915 2.1915
C2 1.5338 2.1915 2.1915 2.1915 1.1054 1.1054 1.1054
H3 1.1054 2.1915 1.7847 1.7847 3.1140 2.5518 2.5518
H4 1.1054 2.1915 1.7847 1.7847 2.5518 2.5518 3.1140
H5 1.1054 2.1915 1.7847 1.7847 2.5518 3.1140 2.5518
H6 2.1915 1.1054 3.1140 2.5518 2.5518 1.7847 1.7847
H7 2.1915 1.1054 2.5518 2.5518 3.1140 1.7847 1.7847
H8 2.1915 1.1054 2.5518 3.1140 2.5518 1.7847 1.7847
Maximum atom distance is 3.1140Å 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 111.234 C1 C2 H7 111.234
C1 C2 H8 111.234 C2 C1 H3 111.234
C2 C1 H4 111.234 C2 C1 H5 111.234
H3 C1 H4 107.652 H3 C1 H5 107.652
H4 C1 H5 107.652 H6 C2 H7 107.652
H6 C2 H8 107.652 H7 C2 H8 107.652

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