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Geometry for C2H6 (Ethane) 1A1g D3D

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

HSEh1PBE/cc-pVTZ


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7596   0.7596 0.0000 0.0000
C2 0.0000 0.0000 -0.7596   -0.7596 0.0000 0.0000
H3 0.0000 1.0162 1.1582   1.1582 0.8655 0.5326
H4 -0.8801 -0.5081 1.1582   1.1582 0.0285 -1.0158
H5 0.8801 -0.5081 1.1582   1.1582 -0.8940 0.4832
H6 0.0000 -1.0162 -1.1582   -1.1582 -0.8655 -0.5326
H7 -0.8801 0.5081 -1.1582   -1.1582 0.8940 -0.4832
H8 0.8801 0.5081 -1.1582   -1.1582 -0.0285 1.0158
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5191 1.0916 1.0916 1.0916 2.1704 2.1704 2.1704
C2 1.5191 2.1704 2.1704 2.1704 1.0916 1.0916 1.0916
H3 1.0916 2.1704 1.7602 1.7602 3.0817 2.5295 2.5295
H4 1.0916 2.1704 1.7602 1.7602 2.5295 2.5295 3.0817
H5 1.0916 2.1704 1.7602 1.7602 2.5295 3.0817 2.5295
H6 2.1704 1.0916 3.0817 2.5295 2.5295 1.7602 1.7602
H7 2.1704 1.0916 2.5295 2.5295 3.0817 1.7602 1.7602
H8 2.1704 1.0916 2.5295 3.0817 2.5295 1.7602 1.7602
Maximum atom distance is 3.0817Å 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 111.418 C1 C2 H7 111.418
C1 C2 H8 111.418 C2 C1 H3 111.418
C2 C1 H4 111.418 C2 C1 H5 111.418
H3 C1 H4 107.456 H3 C1 H5 107.456
H4 C1 H5 107.456 H6 C2 H7 107.456
H6 C2 H8 107.456 H7 C2 H8 107.456

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