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Geometry for C2H6 (Ethane) 1A1g D3D

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

MP2/Def2TZVPP


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7617   0.7617 0.0000 0.0000
C2 0.0000 0.0000 -0.7617   -0.7617 0.0000 0.0000
H3 0.0000 1.0147 1.1551   1.1551 0.8043 0.6187
H4 -0.8788 -0.5074 1.1551   1.1551 0.1337 -1.0059
H5 0.8788 -0.5074 1.1551   1.1551 -0.9379 0.3872
H6 0.0000 -1.0147 -1.1551   -1.1551 -0.8043 -0.6187
H7 -0.8788 0.5074 -1.1551   -1.1551 0.9379 -0.3872
H8 0.8788 0.5074 -1.1551   -1.1551 -0.1337 1.0059
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5233 1.0883 1.0883 1.0883 2.1688 2.1688 2.1688
C2 1.5233 2.1688 2.1688 2.1688 1.0883 1.0883 1.0883
H3 1.0883 2.1688 1.7575 1.7575 3.0750 2.5232 2.5232
H4 1.0883 2.1688 1.7575 1.7575 2.5232 2.5232 3.0750
H5 1.0883 2.1688 1.7575 1.7575 2.5232 3.0750 2.5232
H6 2.1688 1.0883 3.0750 2.5232 2.5232 1.7575 1.7575
H7 2.1688 1.0883 2.5232 2.5232 3.0750 1.7575 1.7575
H8 2.1688 1.0883 2.5232 3.0750 2.5232 1.7575 1.7575
Maximum atom distance is 3.0750Å 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 111.193 C1 C2 H7 111.193
C1 C2 H8 111.193 C2 C1 H3 111.193
C2 C1 H4 111.193 C2 C1 H5 111.193
H3 C1 H4 107.696 H3 C1 H5 107.696
H4 C1 H5 107.696 H6 C2 H7 107.696
H6 C2 H8 107.696 H7 C2 H8 107.696

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