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Geometry for Zn(CH3)2 (dimethyl zinc) 1A1' D3H

1910171554
InChI=1S/2CH3.Zn/h2*1H3; INChIKey=AXAZMDOAUQTMOW-UHFFFAOYSA-N

MP2/TZVP


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Zn1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
C2 0.0000 0.0000 1.9503   0.0000 1.9503 0.0000
C3 0.0000 0.0000 -1.9503   0.0000 -1.9503 0.0000
H4 0.0000 1.0159 2.3475   1.0159 2.3475 0.0000
H5 0.0000 1.0159 -2.3475   1.0159 -2.3475 0.0000
H6 -0.8798 -0.5079 2.3475   -0.5079 2.3475 -0.8798
H7 0.8798 -0.5079 2.3475   -0.5079 2.3475 0.8798
H8 0.8798 -0.5079 -2.3475   -0.5079 -2.3475 0.8798
H9 -0.8798 -0.5079 -2.3475   -0.5079 -2.3475 -0.8798
Atom - Atom Distances (Å)
  Zn1 C2 C3 H4 H5 H6 H7 H8 H9
Zn1 1.9503 1.9503 2.5579 2.5579 2.5579 2.5579 2.5579 2.5579
C2 1.9503 3.9006 1.0908 4.4162 1.0908 1.0908 4.4162 4.4162
C3 1.9503 3.9006 4.4162 1.0908 4.4162 4.4162 1.0908 1.0908
H4 2.5579 1.0908 4.4162 4.6950 1.7596 1.7596 5.0139 5.0139
H5 2.5579 4.4162 1.0908 4.6950 5.0139 5.0139 1.7596 1.7596
H6 2.5579 1.0908 4.4162 1.7596 5.0139 1.7596 5.0139 4.6950
H7 2.5579 1.0908 4.4162 1.7596 5.0139 1.7596 4.6950 5.0139
H8 2.5579 4.4162 1.0908 5.0139 1.7596 5.0139 4.6950 1.7596
H9 2.5579 4.4162 1.0908 5.0139 1.7596 4.6950 5.0139 1.7596
Maximum atom distance is 5.0139Å between atoms H6 and H8.
picture of dimethyl zinc
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Zn1 C3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Zn1 C2 H4 111.354 Zn1 C2 H6 111.354
Zn1 C2 H7 111.354 Zn1 C3 H5 111.354
Zn1 C3 H8 111.354 Zn1 C3 H9 111.354
H4 C2 H6 107.524 H4 C2 H7 107.524
H5 C3 H8 107.524 H5 C3 H9 107.524
H6 C2 H7 107.524 H8 C3 H9 107.524

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