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Geometry for C2H6 (Ethane) 1A1g D3D

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

CCSD=FULL/aug-cc-pVDZ


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7681   0.7681 0.0000 0.0000
C2 0.0000 0.0000 -0.7681   -0.7681 -0.0000 0.0000
H3 0.0000 1.0286 1.1661   1.1661 -1.0286 0.0000
H4 -0.8908 -0.5143 1.1661   1.1661 0.5143 0.8908
H5 0.8908 -0.5143 1.1661   1.1661 0.5143 -0.8908
H6 0.0000 -1.0286 -1.1661   -1.1661 1.0286 -0.0000
H7 -0.8908 0.5143 -1.1661   -1.1661 -0.5143 0.8908
H8 0.8908 0.5143 -1.1661   -1.1661 -0.5143 -0.8908
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5363 1.1029 1.1029 1.1029 2.1907 2.1907 2.1907
C2 1.5363 2.1907 2.1907 2.1907 1.1029 1.1029 1.1029
H3 1.1029 2.1907 1.7816 1.7816 3.1099 2.5490 2.5490
H4 1.1029 2.1907 1.7816 1.7816 2.5490 2.5490 3.1099
H5 1.1029 2.1907 1.7816 1.7816 2.5490 3.1099 2.5490
H6 2.1907 1.1029 3.1099 2.5490 2.5490 1.7816 1.7816
H7 2.1907 1.1029 2.5490 2.5490 3.1099 1.7816 1.7816
H8 2.1907 1.1029 2.5490 3.1099 2.5490 1.7816 1.7816
Maximum atom distance is 3.1099Å 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 111.152 C1 C2 H7 111.152
C1 C2 H8 111.152 C2 C1 H3 111.152
C2 C1 H4 111.152 C2 C1 H5 111.152
H3 C1 H4 107.740 H3 C1 H5 107.740
H4 C1 H5 107.740 H6 C2 H7 107.740
H6 C2 H8 107.740 H7 C2 H8 107.740

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