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Geometry for C2H6 (Ethane) 1A1g D3D

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

HSEh1PBE/6-31G**


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7610   0.7610 0.0000 0.0000
C2 0.0000 0.0000 -0.7610   -0.7610 0.0000 0.0000
H3 0.0000 1.0188 1.1608   1.1608 0.9644 0.3286
H4 -0.8823 -0.5094 1.1608   1.1608 -0.1976 -0.9995
H5 0.8823 -0.5094 1.1608   1.1608 -0.7668 0.6709
H6 0.0000 -1.0188 -1.1608   -1.1608 -0.9644 -0.3286
H7 -0.8823 0.5094 -1.1608   -1.1608 0.7668 -0.6709
H8 0.8823 0.5094 -1.1608   -1.1608 0.1976 0.9995
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5220 1.0945 1.0945 1.0945 2.1751 2.1751 2.1751
C2 1.5220 2.1751 2.1751 2.1751 1.0945 1.0945 1.0945
H3 1.0945 2.1751 1.7647 1.7647 3.0890 2.5353 2.5353
H4 1.0945 2.1751 1.7647 1.7647 2.5353 2.5353 3.0890
H5 1.0945 2.1751 1.7647 1.7647 2.5353 3.0890 2.5353
H6 2.1751 1.0945 3.0890 2.5353 2.5353 1.7647 1.7647
H7 2.1751 1.0945 2.5353 2.5353 3.0890 1.7647 1.7647
H8 2.1751 1.0945 2.5353 3.0890 2.5353 1.7647 1.7647
Maximum atom distance is 3.0890Å 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 111.426 C1 C2 H7 111.426
C1 C2 H8 111.426 C2 C1 H3 111.426
C2 C1 H4 111.426 C2 C1 H5 111.426
H3 C1 H4 107.447 H3 C1 H5 107.447
H4 C1 H5 107.447 H6 C2 H7 107.447
H6 C2 H8 107.447 H7 C2 H8 107.447

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