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Geometry for CH2I2 (Diiodomethane) 1A1 C2V

1910171554
InChI=1S/CH2I2/c2-1-3/h1H2 INChIKey=NZZFYRREKKOMAT-UHFFFAOYSA-N

MP2/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.0492   1.0492 0.0000 0.0000
I2 0.0000 1.8191 -0.0908   -0.0908 0.0000 1.8191
I3 0.0000 -1.8191 -0.0908   -0.0908 0.0000 -1.8191
H4 -0.8961 0.0000 1.6631   1.6631 -0.8961 0.0000
H5 0.8961 0.0000 1.6631   1.6631 0.8961 0.0000
Atom - Atom Distances (Å)
  C1 I2 I3 H4 H5
C1 2.1468 2.1468 1.0862 1.0862
I2 2.1468 3.6381 2.6811 2.6811
I3 2.1468 3.6381 2.6811 2.6811
H4 1.0862 2.6811 2.6811 1.7921
H5 1.0862 2.6811 2.6811 1.7921
Maximum atom distance is 3.6381Å between atoms I2 and I3.
picture of Diiodomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
I2 C1 I3 115.850
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
I2 C1 H4 107.466 I2 C1 H5 107.466
I3 C1 H4 107.466 I3 C1 H5 107.466
H4 C1 H5 111.167

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