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

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

B3PW91/6-31+G**


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 1.9423   1.9423 0.0000 0.0000
C3 0.0000 0.0000 -1.9423   -1.9423 0.0000 0.0000
H4 0.0000 1.0226 2.3368   2.3368 1.0226 0.0000
H5 0.0000 1.0226 -2.3368   -2.3368 1.0226 0.0000
H6 -0.8856 -0.5113 2.3368   2.3368 -0.5113 -0.8856
H7 0.8856 -0.5113 2.3368   2.3368 -0.5113 0.8856
H8 0.8856 -0.5113 -2.3368   -2.3368 -0.5113 0.8856
H9 -0.8856 -0.5113 -2.3368   -2.3368 -0.5113 -0.8856
Atom - Atom Distances (Å)
  Zn1 C2 C3 H4 H5 H6 H7 H8 H9
Zn1 1.9423 1.9423 2.5508 2.5508 2.5508 2.5508 2.5508 2.5508
C2 1.9423 3.8846 1.0961 4.3996 1.0961 1.0961 4.3996 4.3996
C3 1.9423 3.8846 4.3996 1.0961 4.3996 4.3996 1.0961 1.0961
H4 2.5508 1.0961 4.3996 4.6736 1.7712 1.7712 4.9980 4.9980
H5 2.5508 4.3996 1.0961 4.6736 4.9980 4.9980 1.7712 1.7712
H6 2.5508 1.0961 4.3996 1.7712 4.9980 1.7712 4.9980 4.6736
H7 2.5508 1.0961 4.3996 1.7712 4.9980 1.7712 4.6736 4.9980
H8 2.5508 4.3996 1.0961 4.9980 1.7712 4.9980 4.6736 1.7712
H9 2.5508 4.3996 1.0961 4.9980 1.7712 4.6736 4.9980 1.7712
Maximum atom distance is 4.9980Å 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 111.096 Zn1 C2 H6 111.096
Zn1 C2 H7 111.096 Zn1 C3 H5 111.096
Zn1 C3 H8 111.096 Zn1 C3 H9 111.096
H4 C2 H6 107.799 H4 C2 H7 107.799
H5 C3 H8 107.799 H5 C3 H9 107.799
H6 C2 H7 107.799 H8 C3 H9 107.799

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