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Geometry for C2H6 (Ethane) 1A1g D3D

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

QCISD/3-21G*


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7789   0.7789 0.0000 0.0000
C2 0.0000 0.0000 -0.7789   -0.7789 0.0000 0.0000
H3 0.0000 1.0284 1.1672   1.1672 0.8317 0.6049
H4 -0.8906 -0.5142 1.1672   1.1672 0.1080 -1.0227
H5 0.8906 -0.5142 1.1672   1.1672 -0.9397 0.4178
H6 0.0000 -1.0284 -1.1672   -1.1672 -0.8317 -0.6049
H7 -0.8906 0.5142 -1.1672   -1.1672 0.9397 -0.4178
H8 0.8906 0.5142 -1.1672   -1.1672 -0.1080 1.0227
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5578 1.0993 1.0993 1.0993 2.2011 2.2011 2.2011
C2 1.5578 2.2011 2.2011 2.2011 1.0993 1.0993 1.0993
H3 1.0993 2.2011 1.7812 1.7812 3.1113 2.5509 2.5509
H4 1.0993 2.2011 1.7812 1.7812 2.5509 2.5509 3.1113
H5 1.0993 2.2011 1.7812 1.7812 2.5509 3.1113 2.5509
H6 2.2011 1.0993 3.1113 2.5509 2.5509 1.7812 1.7812
H7 2.2011 1.0993 2.5509 2.5509 3.1113 1.7812 1.7812
H8 2.2011 1.0993 2.5509 3.1113 2.5509 1.7812 1.7812
Maximum atom distance is 3.1113Å 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 110.687 C1 C2 H7 110.687
C1 C2 H8 110.687 C2 C1 H3 110.687
C2 C1 H4 110.687 C2 C1 H5 110.687
H3 C1 H4 108.228 H3 C1 H5 108.228
H4 C1 H5 108.229 H6 C2 H7 108.228
H6 C2 H8 108.228 H7 C2 H8 108.229

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