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Geometry for C2H6 (Ethane) 1A1g D3D

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

M06-2X/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 0.7651   0.7651 0.0000 0.0000
C2 0.0000 0.0000 -0.7651   -0.7651 0.0000 0.0000
H3 0.0000 1.0198 1.1603   1.1603 1.0195 0.0234
H4 -0.8832 -0.5099 1.1603   1.1603 -0.4895 -0.8947
H5 0.8832 -0.5099 1.1603   1.1603 -0.5301 0.8712
H6 0.0000 -1.0198 -1.1603   -1.1603 -1.0195 -0.0234
H7 -0.8832 0.5099 -1.1603   -1.1603 0.5301 -0.8712
H8 0.8832 0.5099 -1.1603   -1.1603 0.4895 0.8947
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5302 1.0937 1.0937 1.0937 2.1788 2.1788 2.1788
C2 1.5302 2.1788 2.1788 2.1788 1.0937 1.0937 1.0937
H3 1.0937 2.1788 1.7663 1.7663 3.0895 2.5348 2.5348
H4 1.0937 2.1788 1.7663 1.7663 2.5348 2.5348 3.0895
H5 1.0937 2.1788 1.7663 1.7663 2.5348 3.0895 2.5348
H6 2.1788 1.0937 3.0895 2.5348 2.5348 1.7663 1.7663
H7 2.1788 1.0937 2.5348 2.5348 3.0895 1.7663 1.7663
H8 2.1788 1.0937 2.5348 3.0895 2.5348 1.7663 1.7663
Maximum atom distance is 3.0895Å between atoms H3 and H6.
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 111.183 C1 C2 H7 111.183
C1 C2 H8 111.183 C2 C1 H3 111.183
C2 C1 H4 111.183 C2 C1 H5 111.183
H3 C1 H4 107.707 H3 C1 H5 107.707
H4 C1 H5 107.707 H6 C2 H7 107.707
H6 C2 H8 107.707 H7 C2 H8 107.707

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