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Geometry for C2H6 (Ethane) 1A1g D3D

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

HF/LANL2DZ


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7685   0.7685 0.0000 0.0000
C2 0.0000 0.0000 -0.7685   -0.7685 0.0000 0.0000
H3 0.0000 1.0125 1.1588   1.1588 -0.1432 1.0023
H4 -0.8768 -0.5062 1.1588   1.1588 -0.7964 -0.6252
H5 0.8768 -0.5062 1.1588   1.1588 0.9396 -0.3772
H6 0.0000 -1.0125 -1.1588   -1.1588 0.1432 -1.0023
H7 -0.8768 0.5062 -1.1588   -1.1588 -0.9396 0.3772
H8 0.8768 0.5062 -1.1588   -1.1588 0.7964 0.6252
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5369 1.0851 1.0851 1.0851 2.1770 2.1770 2.1770
C2 1.5369 2.1770 2.1770 2.1770 1.0851 1.0851 1.0851
H3 1.0851 2.1770 1.7537 1.7537 3.0776 2.5290 2.5290
H4 1.0851 2.1770 1.7537 1.7537 2.5290 2.5290 3.0776
H5 1.0851 2.1770 1.7537 1.7537 2.5290 3.0776 2.5290
H6 2.1770 1.0851 3.0776 2.5290 2.5290 1.7537 1.7537
H7 2.1770 1.0851 2.5290 2.5290 3.0776 1.7537 1.7537
H8 2.1770 1.0851 2.5290 3.0776 2.5290 1.7537 1.7537
Maximum atom distance is 3.0776Å 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 111.081 C1 C2 H7 111.081
C1 C2 H8 111.081 C2 C1 H3 111.081
C2 C1 H4 111.081 C2 C1 H5 111.081
H3 C1 H4 107.814 H3 C1 H5 107.814
H4 C1 H5 107.814 H6 C2 H7 107.814
H6 C2 H8 107.814 H7 C2 H8 107.814

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