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Geometry for C2H6 (Ethane) 1A1g D3D

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

B97D3/aug-cc-pVDZ


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7669   0.7669 0.0000 0.0000
C2 0.0000 0.0000 -0.7669   -0.7669 0.0000 0.0000
H3 0.0000 1.0279 1.1671   1.1671 0.8082 0.6350
H4 -0.8901 -0.5139 1.1671   1.1671 0.1458 -1.0175
H5 0.8901 -0.5139 1.1671   1.1671 -0.9541 0.3824
H6 0.0000 -1.0279 -1.1671   -1.1671 -0.8082 -0.6350
H7 -0.8901 0.5139 -1.1671   -1.1671 0.9541 -0.3824
H8 0.8901 0.5139 -1.1671   -1.1671 -0.1458 1.0175
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5339 1.1030 1.1030 1.1030 2.1902 2.1902 2.1902
C2 1.5339 2.1902 2.1902 2.1902 1.1030 1.1030 1.1030
H3 1.1030 2.1902 1.7803 1.7803 3.1104 2.5506 2.5506
H4 1.1030 2.1902 1.7803 1.7803 2.5506 2.5506 3.1104
H5 1.1030 2.1902 1.7803 1.7803 2.5506 3.1104 2.5506
H6 2.1902 1.1030 3.1104 2.5506 2.5506 1.7803 1.7803
H7 2.1902 1.1030 2.5506 2.5506 3.1104 1.7803 1.7803
H8 2.1902 1.1030 2.5506 3.1104 2.5506 1.7803 1.7803
Maximum atom distance is 3.1104Å 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 111.274 C1 C2 H7 111.274
C1 C2 H8 111.274 C2 C1 H3 111.274
C2 C1 H4 111.274 C2 C1 H5 111.274
H3 C1 H4 107.609 H3 C1 H5 107.609
H4 C1 H5 107.609 H6 C2 H7 107.609
H6 C2 H8 107.609 H7 C2 H8 107.609

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