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Geometry for C2H6 (Ethane) 1A1g D3D

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

QCISD/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 0.7648   0.7648 0.0000 0.0000
C2 0.0000 0.0000 -0.7648   -0.7648 0.0000 0.0000
H3 0.0000 1.0227 1.1617   1.1617 1.0218 0.0444
H4 -0.8857 -0.5114 1.1617   1.1617 -0.4724 -0.9071
H5 0.8857 -0.5114 1.1617   1.1617 -0.5494 0.8627
H6 0.0000 -1.0227 -1.1617   -1.1617 -1.0218 -0.0444
H7 -0.8857 0.5114 -1.1617   -1.1617 0.5494 -0.8627
H8 0.8857 0.5114 -1.1617   -1.1617 0.4724 0.9071
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5296 1.0970 1.0970 1.0970 2.1811 2.1811 2.1811
C2 1.5296 2.1811 2.1811 2.1811 1.0970 1.0970 1.0970
H3 1.0970 2.1811 1.7714 1.7714 3.0955 2.5385 2.5385
H4 1.0970 2.1811 1.7714 1.7714 2.5385 2.5385 3.0955
H5 1.0970 2.1811 1.7714 1.7714 2.5385 3.0955 2.5385
H6 2.1811 1.0970 3.0955 2.5385 2.5385 1.7714 1.7714
H7 2.1811 1.0970 2.5385 2.5385 3.0955 1.7714 1.7714
H8 2.1811 1.0970 2.5385 3.0955 2.5385 1.7714 1.7714
Maximum atom distance is 3.0955Å 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 111.209 C1 C2 H7 111.209
C1 C2 H8 111.209 C2 C1 H3 111.209
C2 C1 H4 111.209 C2 C1 H5 111.209
H3 C1 H4 107.679 H3 C1 H5 107.679
H4 C1 H5 107.679 H6 C2 H7 107.679
H6 C2 H8 107.679 H7 C2 H8 107.679

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