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Geometry for C2H6 (Ethane) 1A1g D3D

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

CBS-Q


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7647   0.7647 0.0000 0.0000
C2 0.0000 0.0000 -0.7647   -0.7647 -0.0000 0.0000
H3 0.0000 1.0144 1.1588   1.1588 -1.0144 0.0000
H4 -0.8785 -0.5072 1.1588   1.1588 0.5072 0.8785
H5 0.8785 -0.5072 1.1588   1.1588 0.5072 -0.8785
H6 0.0000 -1.0144 -1.1588   -1.1588 1.0144 -0.0000
H7 -0.8785 0.5072 -1.1588   -1.1588 -0.5072 0.8785
H8 0.8785 0.5072 -1.1588   -1.1588 -0.5072 -0.8785
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5293 1.0883 1.0883 1.0883 2.1745 2.1745 2.1745
C2 1.5293 2.1745 2.1745 2.1745 1.0883 1.0883 1.0883
H3 1.0883 2.1745 1.7570 1.7570 3.0801 2.5298 2.5298
H4 1.0883 2.1745 1.7570 1.7570 2.5298 2.5298 3.0801
H5 1.0883 2.1745 1.7570 1.7570 2.5298 3.0801 2.5298
H6 2.1745 1.0883 3.0801 2.5298 2.5298 1.7570 1.7570
H7 2.1745 1.0883 2.5298 2.5298 3.0801 1.7570 1.7570
H8 2.1745 1.0883 2.5298 3.0801 2.5298 1.7570 1.7570
Maximum atom distance is 3.0801Å 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 111.232 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 107.654 H3 C1 H5 107.654
H4 C1 H5 107.654 H6 C2 H7 107.654
H6 C2 H8 107.654 H7 C2 H8 107.654

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