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Geometry for C2H6 (Ethane) 1A1g D3D

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

B3PW91/6-31G*


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7628   0.7628 0.0000 0.0000
C2 0.0000 0.0000 -0.7628   -0.7628 -0.0000 0.0000
H3 0.0000 1.0206 1.1624   1.1624 -1.0206 0.0000
H4 -0.8839 -0.5103 1.1624   1.1624 0.5103 0.8839
H5 0.8839 -0.5103 1.1624   1.1624 0.5103 -0.8839
H6 0.0000 -1.0206 -1.1624   -1.1624 1.0206 -0.0000
H7 -0.8839 0.5103 -1.1624   -1.1624 -0.5103 0.8839
H8 0.8839 0.5103 -1.1624   -1.1624 -0.5103 -0.8839
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5256 1.0961 1.0961 1.0961 2.1790 2.1790 2.1790
C2 1.5256 2.1790 2.1790 2.1790 1.0961 1.0961 1.0961
H3 1.0961 2.1790 1.7678 1.7678 3.0937 2.5389 2.5389
H4 1.0961 2.1790 1.7678 1.7678 2.5389 2.5389 3.0937
H5 1.0961 2.1790 1.7678 1.7678 2.5389 3.0937 2.5389
H6 2.1790 1.0961 3.0937 2.5389 2.5389 1.7678 1.7678
H7 2.1790 1.0961 2.5389 2.5389 3.0937 1.7678 1.7678
H8 2.1790 1.0961 2.5389 3.0937 2.5389 1.7678 1.7678
Maximum atom distance is 3.0937Å 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 111.381 C1 C2 H7 111.381
C1 C2 H8 111.381 C2 C1 H3 111.381
C2 C1 H4 111.381 C2 C1 H5 111.381
H3 C1 H4 107.496 H3 C1 H5 107.496
H4 C1 H5 107.496 H6 C2 H7 107.496
H6 C2 H8 107.496 H7 C2 H8 107.496

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