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Geometry for C2H6 (Ethane) 1A1g D3D

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

B2PLYP/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 1.0192 1.1607   1.1607 0.2797 0.9801
H4 -0.8827 -0.5096 1.1607   1.1607 -0.9886 -0.2478
H5 0.8827 -0.5096 1.1607   1.1607 0.7089 -0.7323
H6 0.0000 -1.0192 -1.1607   -1.1607 -0.2797 -0.9801
H7 -0.8827 0.5096 -1.1607   -1.1607 -0.7089 0.7323
H8 0.8827 0.5096 -1.1607   -1.1607 0.9886 0.2478
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5280 1.0937 1.0937 1.0937 2.1779 2.1779 2.1779
C2 1.5280 2.1779 2.1779 2.1779 1.0937 1.0937 1.0937
H3 1.0937 2.1779 1.7653 1.7653 3.0893 2.5352 2.5352
H4 1.0937 2.1779 1.7653 1.7653 2.5352 2.5352 3.0893
H5 1.0937 2.1779 1.7653 1.7653 2.5352 3.0893 2.5352
H6 2.1779 1.0937 3.0893 2.5352 2.5352 1.7653 1.7653
H7 2.1779 1.0937 2.5352 2.5352 3.0893 1.7653 1.7653
H8 2.1779 1.0937 2.5352 3.0893 2.5352 1.7653 1.7653
Maximum atom distance is 3.0893Å 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 111.264 C1 C2 H7 111.264
C1 C2 H8 111.264 C2 C1 H3 111.264
C2 C1 H4 111.264 C2 C1 H5 111.264
H3 C1 H4 107.620 H3 C1 H5 107.620
H4 C1 H5 107.620 H6 C2 H7 107.620
H6 C2 H8 107.620 H7 C2 H8 107.620

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