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Geometry for C2H6 (Ethane) 1A1g D3D

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

mPW1PW91/aug-cc-pVDZ


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7613   0.7613 0.0000 0.0000
C2 0.0000 0.0000 -0.7613   -0.7613 0.0000 0.0000
H3 0.0000 1.0223 1.1611   1.1611 -0.0392 1.0216
H4 -0.8854 -0.5112 1.1611   1.1611 -0.8651 -0.5447
H5 0.8854 -0.5112 1.1611   1.1611 0.9043 -0.4769
H6 0.0000 -1.0223 -1.1611   -1.1611 0.0392 -1.0216
H7 -0.8854 0.5112 -1.1611   -1.1611 -0.9043 0.4769
H8 0.8854 0.5112 -1.1611   -1.1611 0.8651 0.5447
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5225 1.0977 1.0977 1.0977 2.1773 2.1773 2.1773
C2 1.5225 2.1773 2.1773 2.1773 1.0977 1.0977 1.0977
H3 1.0977 2.1773 1.7707 1.7707 3.0941 2.5373 2.5373
H4 1.0977 2.1773 1.7707 1.7707 2.5373 2.5373 3.0941
H5 1.0977 2.1773 1.7707 1.7707 2.5373 3.0941 2.5373
H6 2.1773 1.0977 3.0941 2.5373 2.5373 1.7707 1.7707
H7 2.1773 1.0977 2.5373 2.5373 3.0941 1.7707 1.7707
H8 2.1773 1.0977 2.5373 3.0941 2.5373 1.7707 1.7707
Maximum atom distance is 3.0941Å 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 111.360 C1 C2 H7 111.360
C1 C2 H8 111.360 C2 C1 H3 111.360
C2 C1 H4 111.360 C2 C1 H5 111.360
H3 C1 H4 107.518 H3 C1 H5 107.518
H4 C1 H5 107.518 H6 C2 H7 107.518
H6 C2 H8 107.518 H7 C2 H8 107.518

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