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Geometry for C2H6 (Ethane) 1A1g D3D

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

B3PW91/6-311G*


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7617   0.7617 0.0000 0.0000
C2 0.0000 0.0000 -0.7617   -0.7617 -0.0000 0.0000
H3 0.0000 1.0179 1.1630   1.1630 -1.0179 0.0000
H4 -0.8815 -0.5089 1.1630   1.1630 0.5089 0.8815
H5 0.8815 -0.5089 1.1630   1.1630 0.5089 -0.8815
H6 0.0000 -1.0179 -1.1630   -1.1630 1.0179 -0.0000
H7 -0.8815 0.5089 -1.1630   -1.1630 -0.5089 0.8815
H8 0.8815 0.5089 -1.1630   -1.1630 -0.5089 -0.8815
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5235 1.0941 1.0941 1.0941 2.1773 2.1773 2.1773
C2 1.5235 2.1773 2.1773 2.1773 1.0941 1.0941 1.0941
H3 1.0941 2.1773 1.7630 1.7630 3.0911 2.5390 2.5390
H4 1.0941 2.1773 1.7630 1.7630 2.5390 2.5390 3.0911
H5 1.0941 2.1773 1.7630 1.7630 2.5390 3.0911 2.5390
H6 2.1773 1.0941 3.0911 2.5390 2.5390 1.7630 1.7630
H7 2.1773 1.0941 2.5390 2.5390 3.0911 1.7630 1.7630
H8 2.1773 1.0941 2.5390 3.0911 2.5390 1.7630 1.7630
Maximum atom distance is 3.0911Å 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 111.515 C1 C2 H7 111.515
C1 C2 H8 111.515 C2 C1 H3 111.515
C2 C1 H4 111.515 C2 C1 H5 111.515
H3 C1 H4 107.352 H3 C1 H5 107.352
H4 C1 H5 107.352 H6 C2 H7 107.352
H6 C2 H8 107.352 H7 C2 H8 107.352

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