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Geometry for C2H6 (Ethane) 1A1g D3D

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

M06-2X/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 0.7632   0.7632 0.0000 0.0000
C2 0.0000 0.0000 -0.7632   -0.7632 0.0000 0.0000
H3 0.0000 1.0196 1.1593   1.1593 -0.3002 0.9744
H4 -0.8830 -0.5098 1.1593   1.1593 -0.6937 -0.7472
H5 0.8830 -0.5098 1.1593   1.1593 0.9939 -0.2272
H6 0.0000 -1.0196 -1.1593   -1.1593 0.3002 -0.9744
H7 -0.8830 0.5098 -1.1593   -1.1593 -0.9939 0.2272
H8 0.8830 0.5098 -1.1593   -1.1593 0.6937 0.7472
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5264 1.0938 1.0938 1.0938 2.1761 2.1761 2.1761
C2 1.5264 2.1761 2.1761 2.1761 1.0938 1.0938 1.0938
H3 1.0938 2.1761 1.7659 1.7659 3.0877 2.5329 2.5329
H4 1.0938 2.1761 1.7659 1.7659 2.5329 2.5329 3.0877
H5 1.0938 2.1761 1.7659 1.7659 2.5329 3.0877 2.5329
H6 2.1761 1.0938 3.0877 2.5329 2.5329 1.7659 1.7659
H7 2.1761 1.0938 2.5329 2.5329 3.0877 1.7659 1.7659
H8 2.1761 1.0938 2.5329 3.0877 2.5329 1.7659 1.7659
Maximum atom distance is 3.0877Å 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 111.232 C1 C2 H7 111.232
C1 C2 H8 111.232 C2 C1 H3 111.232
C2 C1 H4 111.232 C2 C1 H5 111.232
H3 C1 H4 107.655 H3 C1 H5 107.655
H4 C1 H5 107.655 H6 C2 H7 107.655
H6 C2 H8 107.655 H7 C2 H8 107.655

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