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Geometry for C2H6 (Ethane) 1A1g D3D

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

B2PLYP=FULL/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 0.7682   0.7682 0.0000 0.0000
C2 0.0000 0.0000 -0.7682   -0.7682 0.0000 0.0000
H3 0.0000 1.0213 1.1645   1.1645 0.8753 0.5263
H4 -0.8845 -0.5107 1.1645   1.1645 0.0182 -1.0212
H5 0.8845 -0.5107 1.1645   1.1645 -0.8934 0.4948
H6 0.0000 -1.0213 -1.1645   -1.1645 -0.8753 -0.5263
H7 -0.8845 0.5107 -1.1645   -1.1645 0.8934 -0.4948
H8 0.8845 0.5107 -1.1645   -1.1645 -0.0182 1.0212
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5364 1.0955 1.0955 1.0955 2.1860 2.1860 2.1860
C2 1.5364 2.1860 2.1860 2.1860 1.0955 1.0955 1.0955
H3 1.0955 2.1860 1.7690 1.7690 3.0979 2.5432 2.5432
H4 1.0955 2.1860 1.7690 1.7690 2.5432 2.5432 3.0979
H5 1.0955 2.1860 1.7690 1.7690 2.5432 3.0979 2.5432
H6 2.1860 1.0955 3.0979 2.5432 2.5432 1.7690 1.7690
H7 2.1860 1.0955 2.5432 2.5432 3.0979 1.7690 1.7690
H8 2.1860 1.0955 2.5432 3.0979 2.5432 1.7690 1.7690
Maximum atom distance is 3.0979Å 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.