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Geometry for C2H6 (Ethane) 1A1g D3D

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

MP2/STO-3G


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7777   0.7777 0.0000 0.0000
C2 0.0000 0.0000 -0.7777   -0.7777 0.0000 0.0000
H3 0.0000 1.0316 1.1686   1.1686 1.0161 0.1786
H4 -0.8934 -0.5158 1.1686   1.1686 -0.3534 -0.9692
H5 0.8934 -0.5158 1.1686   1.1686 -0.6627 0.7906
H6 0.0000 -1.0316 -1.1686   -1.1686 -1.0161 -0.1786
H7 -0.8934 0.5158 -1.1686   -1.1686 0.6627 -0.7906
H8 0.8934 0.5158 -1.1686   -1.1686 0.3534 0.9692
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5553 1.1032 1.1032 1.1032 2.2027 2.2027 2.2027
C2 1.5553 2.2027 2.2027 2.2027 1.1032 1.1032 1.1032
H3 1.1032 2.2027 1.7869 1.7869 3.1176 2.5547 2.5547
H4 1.1032 2.2027 1.7869 1.7869 2.5547 2.5547 3.1176
H5 1.1032 2.2027 1.7869 1.7869 2.5547 3.1176 2.5547
H6 2.2027 1.1032 3.1176 2.5547 2.5547 1.7869 1.7869
H7 2.2027 1.1032 2.5547 2.5547 3.1176 1.7869 1.7869
H8 2.2027 1.1032 2.5547 3.1176 2.5547 1.7869 1.7869
Maximum atom distance is 3.1176Å 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 110.753 C1 C2 H7 110.753
C1 C2 H8 110.753 C2 C1 H3 110.753
C2 C1 H4 110.753 C2 C1 H5 110.753
H3 C1 H4 108.160 H3 C1 H5 108.160
H4 C1 H5 108.160 H6 C2 H7 108.160
H6 C2 H8 108.160 H7 C2 H8 108.160

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