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Geometry for CH2I2 (Diiodomethane) 1A1 C2V

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

HF/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 1.0453   1.0453 0.0000 0.0000
I2 0.0000 1.7978 -0.0903   -0.0903 0.0000 1.7978
I3 0.0000 -1.7978 -0.0903   -0.0903 0.0000 -1.7978
H4 -0.8847 0.0000 1.6503   1.6503 -0.8847 0.0000
H5 0.8847 0.0000 1.6503   1.6503 0.8847 0.0000
Atom - Atom Distances (Å)
  C1 I2 I3 H4 H5
C1 2.1264 2.1264 1.0717 1.0717
I2 2.1264 3.5957 2.6541 2.6541
I3 2.1264 3.5957 2.6541 2.6541
H4 1.0717 2.6541 2.6541 1.7693
H5 1.0717 2.6541 2.6541 1.7693
Maximum atom distance is 3.5957Å 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 115.443
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
I2 C1 H4 107.545 I2 C1 H5 107.545
I3 C1 H4 107.545 I3 C1 H5 107.545
H4 C1 H5 111.267

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