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Geometry for C2H6 (Ethane) 1A1g D3D

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

PBEPBE/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 0.7647   0.7647 0.0000 0.0000
C2 0.0000 0.0000 -0.7647   -0.7647 0.0000 0.0000
H3 0.0000 1.0317 1.1731   1.1731 -0.2502 1.0009
H4 -0.8935 -0.5159 1.1731   1.1731 -0.7417 -0.7172
H5 0.8935 -0.5159 1.1731   1.1731 0.9919 -0.2837
H6 0.0000 -1.0317 -1.1731   -1.1731 0.2502 -1.0009
H7 -0.8935 0.5159 -1.1731   -1.1731 -0.9919 0.2837
H8 0.8935 0.5159 -1.1731   -1.1731 0.7417 0.7172
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5294 1.1096 1.1096 1.1096 2.1954 2.1954 2.1954
C2 1.5294 2.1954 2.1954 2.1954 1.1096 1.1096 1.1096
H3 1.1096 2.1954 1.7870 1.7870 3.1246 2.5631 2.5631
H4 1.1096 2.1954 1.7870 1.7870 2.5631 2.5631 3.1246
H5 1.1096 2.1954 1.7870 1.7870 2.5631 3.1246 2.5631
H6 2.1954 1.1096 3.1246 2.5631 2.5631 1.7870 1.7870
H7 2.1954 1.1096 2.5631 2.5631 3.1246 1.7870 1.7870
H8 2.1954 1.1096 2.5631 3.1246 2.5631 1.7870 1.7870
Maximum atom distance is 3.1246Å 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 111.597 C1 C2 H7 111.597
C1 C2 H8 111.597 C2 C1 H3 111.597
C2 C1 H4 111.597 C2 C1 H5 111.597
H3 C1 H4 107.264 H3 C1 H5 107.264
H4 C1 H5 107.264 H6 C2 H7 107.264
H6 C2 H8 107.264 H7 C2 H8 107.264

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