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Geometry for C2H6 (Ethane) 1A1g D3D

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

CCSD=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 0.7640   0.7640 0.0000 0.0000
C2 0.0000 0.0000 -0.7640   -0.7640 0.0000 0.0000
H3 0.0000 1.0221 1.1605   1.1605 0.8973 0.4894
H4 -0.8852 -0.5111 1.1605   1.1605 -0.0248 -1.0218
H5 0.8852 -0.5111 1.1605   1.1605 -0.8725 0.5324
H6 0.0000 -1.0221 -1.1605   -1.1605 -0.8973 -0.4894
H7 -0.8852 0.5111 -1.1605   -1.1605 0.8725 -0.5324
H8 0.8852 0.5111 -1.1605   -1.1605 0.0248 1.0218
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5280 1.0963 1.0963 1.0963 2.1791 2.1791 2.1791
C2 1.5280 2.1791 2.1791 2.1791 1.0963 1.0963 1.0963
H3 1.0963 2.1791 1.7704 1.7704 3.0929 2.5361 2.5361
H4 1.0963 2.1791 1.7704 1.7704 2.5361 2.5361 3.0929
H5 1.0963 2.1791 1.7704 1.7704 2.5361 3.0929 2.5361
H6 2.1791 1.0963 3.0929 2.5361 2.5361 1.7704 1.7704
H7 2.1791 1.0963 2.5361 2.5361 3.0929 1.7704 1.7704
H8 2.1791 1.0963 2.5361 3.0929 2.5361 1.7704 1.7704
Maximum atom distance is 3.0929Å 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 111.202 C1 C2 H7 111.202
C1 C2 H8 111.202 C2 C1 H3 111.202
C2 C1 H4 111.202 C2 C1 H5 111.202
H3 C1 H4 107.687 H3 C1 H5 107.687
H4 C1 H5 107.687 H6 C2 H7 107.687
H6 C2 H8 107.687 H7 C2 H8 107.687

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