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Geometry for C2H6 (Ethane) 1A1g D3D

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

PBE1PBE/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 0.7613   0.7613 0.0000 0.0000
C2 0.0000 0.0000 -0.7613   -0.7613 0.0000 0.0000
H3 0.0000 1.0202 1.1607   1.1607 -0.2167 0.9969
H4 -0.8835 -0.5101 1.1607   1.1607 -0.7550 -0.6861
H5 0.8835 -0.5101 1.1607   1.1607 0.9717 -0.3108
H6 0.0000 -1.0202 -1.1607   -1.1607 0.2167 -0.9969
H7 -0.8835 0.5101 -1.1607   -1.1607 -0.9717 0.3108
H8 0.8835 0.5101 -1.1607   -1.1607 0.7550 0.6861
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5225 1.0956 1.0956 1.0956 2.1759 2.1759 2.1759
C2 1.5225 2.1759 2.1759 2.1759 1.0956 1.0956 1.0956
H3 1.0956 2.1759 1.7670 1.7670 3.0906 2.5357 2.5357
H4 1.0956 2.1759 1.7670 1.7670 2.5357 2.5357 3.0906
H5 1.0956 2.1759 1.7670 1.7670 2.5357 3.0906 2.5357
H6 2.1759 1.0956 3.0906 2.5357 2.5357 1.7670 1.7670
H7 2.1759 1.0956 2.5357 2.5357 3.0906 1.7670 1.7670
H8 2.1759 1.0956 2.5357 3.0906 2.5357 1.7670 1.7670
Maximum atom distance is 3.0906Å 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 111.383 C1 C2 H7 111.383
C1 C2 H8 111.383 C2 C1 H3 111.383
C2 C1 H4 111.383 C2 C1 H5 111.383
H3 C1 H4 107.494 H3 C1 H5 107.494
H4 C1 H5 107.494 H6 C2 H7 107.494
H6 C2 H8 107.494 H7 C2 H8 107.494

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