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Geometry for CH2I2 (Diiodomethane) 1A1 C2V

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

MP4/Def2TZVPP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.0554   1.0554 0.0000 0.0000
I2 0.0000 1.7908 -0.0911   -0.0911 0.0000 1.7908
I3 0.0000 -1.7908 -0.0911   -0.0911 0.0000 -1.7908
H4 -0.8966 0.0000 1.6639   1.6639 -0.8966 0.0000
H5 0.8966 0.0000 1.6639   1.6639 0.8966 0.0000
Atom - Atom Distances (Å)
  C1 I2 I3 H4 H5
C1 2.1264 2.1264 1.0835 1.0835
I2 2.1264 3.5816 2.6629 2.6629
I3 2.1264 3.5816 2.6629 2.6629
H4 1.0835 2.6629 2.6629 1.7932
H5 1.0835 2.6629 2.6629 1.7932
Maximum atom distance is 3.5816Å 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 114.740
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
I2 C1 H4 107.624 I2 C1 H5 107.624
I3 C1 H4 107.624 I3 C1 H5 107.624
H4 C1 H5 111.681

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