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Geometry for CuCH3 (monomethyl copper) 1A1 C3V

1910171554
InChI=1S/CH3.Cu/h1H3; INChIKey=HRNSPWKFRJGQEC-UHFFFAOYSA-N

mPW1PW91/6-31G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cu1 0.0000 0.0000 0.4565   0.4565 0.0000 0.0000
C2 0.0000 0.0000 -1.3375   -1.3375 0.0000 -0.0000
H3 0.0000 1.0206 -1.7375   -1.7375 -1.0206 -0.0000
H4 0.8839 -0.5103 -1.7375   -1.7375 0.5103 -0.8839
H5 -0.8839 -0.5103 -1.7375   -1.7375 0.5103 0.8839
Atom - Atom Distances (Å)
  Cu1 C2 H3 H4 H5
Cu1 1.7940 2.4198 2.4198 2.4198
C2 1.7940 1.0962 1.0962 1.0962
H3 2.4198 1.0962 1.7678 1.7678
H4 2.4198 1.0962 1.7678 1.7678
H5 2.4198 1.0962 1.7678 1.7678
Maximum atom distance is 2.4198Å between atoms Cu1 and H4.
picture of monomethyl copper
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
Cu1 C2 H3 111.404 Cu1 C2 H4 111.404
Cu1 C2 H5 111.404 H3 C2 H4 107.471
H3 C2 H5 107.471 H4 C2 H5 107.471

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