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Geometry for C2H6 (Ethane) 1A1g D3D

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

MP3=FULL/6-31+G**


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7628   0.7628 0.0000 0.0000
C2 0.0000 0.0000 -0.7628   -0.7628 0.0000 0.0000
H3 0.0000 1.0152 1.1549   1.1549 0.9331 0.3999
H4 -0.8792 -0.5076 1.1549   1.1549 -0.1202 -1.0080
H5 0.8792 -0.5076 1.1549   1.1549 -0.8129 0.6081
H6 0.0000 -1.0152 -1.1549   -1.1549 -0.9331 -0.3999
H7 -0.8792 0.5076 -1.1549   -1.1549 0.8129 -0.6081
H8 0.8792 0.5076 -1.1549   -1.1549 0.1202 1.0080
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5255 1.0883 1.0883 1.0883 2.1698 2.1698 2.1698
C2 1.5255 2.1698 2.1698 2.1698 1.0883 1.0883 1.0883
H3 1.0883 2.1698 1.7584 1.7584 3.0753 2.5231 2.5231
H4 1.0883 2.1698 1.7584 1.7584 2.5231 2.5231 3.0753
H5 1.0883 2.1698 1.7584 1.7584 2.5231 3.0753 2.5231
H6 2.1698 1.0883 3.0753 2.5231 2.5231 1.7584 1.7584
H7 2.1698 1.0883 2.5231 2.5231 3.0753 1.7584 1.7584
H8 2.1698 1.0883 2.5231 3.0753 2.5231 1.7584 1.7584
Maximum atom distance is 3.0753Å 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 111.121 C1 C2 H7 111.121
C1 C2 H8 111.121 C2 C1 H3 111.121
C2 C1 H4 111.121 C2 C1 H5 111.121
H3 C1 H4 107.773 H3 C1 H5 107.773
H4 C1 H5 107.773 H6 C2 H7 107.773
H6 C2 H8 107.773 H7 C2 H8 107.773

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