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Geometry for CH2I2 (Diiodomethane) 1A1 C2V

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

PBEPBE/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.0641   1.0641 0.0000 0.0000
I2 0.0000 1.8743 -0.0919   -0.0919 0.0000 1.8743
I3 0.0000 -1.8743 -0.0919   -0.0919 0.0000 -1.8743
H4 -0.9068 0.0000 1.6786   1.6786 -0.9068 0.0000
H5 0.9068 0.0000 1.6786   1.6786 0.9068 0.0000
Atom - Atom Distances (Å)
  C1 I2 I3 H4 H5
C1 2.2021 2.2021 1.0954 1.0954
I2 2.2021 3.7486 2.7331 2.7331
I3 2.2021 3.7486 2.7331 2.7331
H4 1.0954 2.7331 2.7331 1.8137
H5 1.0954 2.7331 2.7331 1.8137
Maximum atom distance is 3.7486Å 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 116.669
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
I2 C1 H4 107.125 I2 C1 H5 107.125
I3 C1 H4 107.125 I3 C1 H5 107.125
H4 C1 H5 111.761

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