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Geometry for C2H6 (Ethane) 1A1g D3D

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

HF/6-31G(2df,p)


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   0.7634 0.0000 0.0000
C2 0.0000 0.0000 -0.7634   -0.7634 0.0000 0.0000
H3 0.0000 1.0127 1.1559   1.1559 -0.1432 1.0025
H4 -0.8770 -0.5063 1.1559   1.1559 -0.7966 -0.6253
H5 0.8770 -0.5063 1.1559   1.1559 0.9398 -0.3772
H6 0.0000 -1.0127 -1.1559   -1.1559 0.1432 -1.0025
H7 -0.8770 0.5063 -1.1559   -1.1559 -0.9398 0.3772
H8 0.8770 0.5063 -1.1559   -1.1559 0.7966 0.6253
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5268 1.0861 1.0861 1.0861 2.1700 2.1700 2.1700
C2 1.5268 2.1700 2.1700 2.1700 1.0861 1.0861 1.0861
H3 1.0861 2.1700 1.7540 1.7540 3.0735 2.5238 2.5238
H4 1.0861 2.1700 1.7540 1.7540 2.5238 2.5238 3.0735
H5 1.0861 2.1700 1.7540 1.7540 2.5238 3.0735 2.5238
H6 2.1700 1.0861 3.0735 2.5238 2.5238 1.7540 1.7540
H7 2.1700 1.0861 2.5238 2.5238 3.0735 1.7540 1.7540
H8 2.1700 1.0861 2.5238 3.0735 2.5238 1.7540 1.7540
Maximum atom distance is 3.0735Å between atoms H3 and H6.
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 111.185 C1 C2 H7 111.185
C1 C2 H8 111.185 C2 C1 H3 111.185
C2 C1 H4 111.185 C2 C1 H5 111.185
H3 C1 H4 107.705 H3 C1 H5 107.705
H4 C1 H5 107.705 H6 C2 H7 107.705
H6 C2 H8 107.705 H7 C2 H8 107.705

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