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Geometry for C2H6 (Ethane) 1A1g D3D

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

PBEPBE/6-311G**


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7654   0.7654 0.0000 0.0000
C2 0.0000 0.0000 -0.7654   -0.7654 0.0000 0.0000
H3 0.0000 1.0247 1.1684   1.1684 -0.2945 0.9815
H4 -0.8875 -0.5124 1.1684   1.1684 -0.7028 -0.7458
H5 0.8875 -0.5124 1.1684   1.1684 0.9973 -0.2358
H6 0.0000 -1.0247 -1.1684   -1.1684 0.2945 -0.9815
H7 -0.8875 0.5124 -1.1684   -1.1684 -0.9973 0.2358
H8 0.8875 0.5124 -1.1684   -1.1684 0.7028 0.7458
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5309 1.1011 1.1011 1.1011 2.1886 2.1886 2.1886
C2 1.5309 2.1886 2.1886 2.1886 1.1011 1.1011 1.1011
H3 1.1011 2.1886 1.7749 1.7749 3.1082 2.5516 2.5516
H4 1.1011 2.1886 1.7749 1.7749 2.5516 2.5516 3.1082
H5 1.1011 2.1886 1.7749 1.7749 2.5516 3.1082 2.5516
H6 2.1886 1.1011 3.1082 2.5516 2.5516 1.7749 1.7749
H7 2.1886 1.1011 2.5516 2.5516 3.1082 1.7749 1.7749
H8 2.1886 1.1011 2.5516 3.1082 2.5516 1.7749 1.7749
Maximum atom distance is 3.1082Å 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 111.465 C1 C2 H7 111.465
C1 C2 H8 111.465 C2 C1 H3 111.465
C2 C1 H4 111.465 C2 C1 H5 111.465
H3 C1 H4 107.406 H3 C1 H5 107.406
H4 C1 H5 107.406 H6 C2 H7 107.406
H6 C2 H8 107.406 H7 C2 H8 107.406

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