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Geometry for C2H6 (Ethane) 1A1g D3D

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

MP2=FULL/6-31+G**


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7615   0.7615 0.0000 0.0000
C2 0.0000 0.0000 -0.7615   -0.7615 0.0000 0.0000
H3 0.0000 1.0150 1.1548   1.1548 0.8445 0.5630
H4 -0.8790 -0.5075 1.1548   1.1548 0.0653 -1.0129
H5 0.8790 -0.5075 1.1548   1.1548 -0.9099 0.4499
H6 0.0000 -1.0150 -1.1548   -1.1548 -0.8445 -0.5630
H7 -0.8790 0.5075 -1.1548   -1.1548 0.9099 -0.4499
H8 0.8790 0.5075 -1.1548   -1.1548 -0.0653 1.0129
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5231 1.0885 1.0885 1.0885 2.1686 2.1686 2.1686
C2 1.5231 2.1686 2.1686 2.1686 1.0885 1.0885 1.0885
H3 1.0885 2.1686 1.7580 1.7580 3.0749 2.5228 2.5228
H4 1.0885 2.1686 1.7580 1.7580 2.5228 2.5228 3.0749
H5 1.0885 2.1686 1.7580 1.7580 2.5228 3.0749 2.5228
H6 2.1686 1.0885 3.0749 2.5228 2.5228 1.7580 1.7580
H7 2.1686 1.0885 2.5228 2.5228 3.0749 1.7580 1.7580
H8 2.1686 1.0885 2.5228 3.0749 2.5228 1.7580 1.7580
Maximum atom distance is 3.0749Å 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 111.179 C1 C2 H7 111.179
C1 C2 H8 111.179 C2 C1 H3 111.179
C2 C1 H4 111.179 C2 C1 H5 111.179
H3 C1 H4 107.711 H3 C1 H5 107.711
H4 C1 H5 107.711 H6 C2 H7 107.711
H6 C2 H8 107.711 H7 C2 H8 107.711

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