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Geometry for C2H6 (Ethane) 1A1g D3D

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

MP2/6-31G(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 0.7632   0.7632 0.0000 0.0000
C2 0.0000 0.0000 -0.7632   -0.7632 0.0000 0.0000
H3 0.0000 1.0166 1.1582   1.1582 0.2790 0.9776
H4 -0.8804 -0.5083 1.1582   1.1582 -0.9861 -0.2472
H5 0.8804 -0.5083 1.1582   1.1582 0.7071 -0.7304
H6 0.0000 -1.0166 -1.1582   -1.1582 -0.2790 -0.9776
H7 -0.8804 0.5083 -1.1582   -1.1582 -0.7071 0.7304
H8 0.8804 0.5083 -1.1582   -1.1582 0.9861 0.2472
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5264 1.0907 1.0907 1.0907 2.1738 2.1738 2.1738
C2 1.5264 2.1738 2.1738 2.1738 1.0907 1.0907 1.0907
H3 1.0907 2.1738 1.7609 1.7609 3.0822 2.5297 2.5297
H4 1.0907 2.1738 1.7609 1.7609 2.5297 2.5297 3.0822
H5 1.0907 2.1738 1.7609 1.7609 2.5297 3.0822 2.5297
H6 2.1738 1.0907 3.0822 2.5297 2.5297 1.7609 1.7609
H7 2.1738 1.0907 2.5297 2.5297 3.0822 1.7609 1.7609
H8 2.1738 1.0907 2.5297 3.0822 2.5297 1.7609 1.7609
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 111.234 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.