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Geometry for CH2I2 (Diiodomethane) 1A1 C2V

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

BLYP/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.0205   1.0205 0.0000 0.0000
I2 0.0000 1.8727 -0.0893   -0.0893 0.0000 1.8727
I3 0.0000 -1.8727 -0.0893   -0.0893 0.0000 -1.8727
H4 -0.8992 0.0000 1.6695   1.6695 -0.8992 0.0000
H5 0.8992 0.0000 1.6695   1.6695 0.8992 0.0000
Atom - Atom Distances (Å)
  C1 I2 I3 H4 H5
C1 2.1768 2.1768 1.1090 1.1090
I2 2.1768 3.7453 2.7219 2.7219
I3 2.1768 3.7453 2.7219 2.7219
H4 1.1090 2.7219 2.7219 1.7984
H5 1.1090 2.7219 2.7219 1.7984
Maximum atom distance is 3.7453Å 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 118.698
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
I2 C1 H4 107.360 I2 C1 H5 107.360
I3 C1 H4 107.360 I3 C1 H5 107.360
H4 C1 H5 108.355

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