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Geometry for CH2I2 (Diiodomethane) 1A1 C2V

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

CISD/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 1.0888   1.0888 0.0000 0.0000
I2 0.0000 1.8354 -0.0936   -0.0936 0.0000 1.8354
I3 0.0000 -1.8354 -0.0936   -0.0936 0.0000 -1.8354
H4 -0.8980 0.0000 1.6966   1.6966 -0.8980 0.0000
H5 0.8980 0.0000 1.6966   1.6966 0.8980 0.0000
Atom - Atom Distances (Å)
  C1 I2 I3 H4 H5
C1 2.1833 2.1833 1.0844 1.0844
I2 2.1833 3.6707 2.7166 2.7166
I3 2.1833 3.6707 2.7166 2.7166
H4 1.0844 2.7166 2.7166 1.7960
H5 1.0844 2.7166 2.7166 1.7960
Maximum atom distance is 3.6707Å 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 114.417
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
I2 C1 H4 107.672 I2 C1 H5 107.672
I3 C1 H4 107.672 I3 C1 H5 107.672
H4 C1 H5 111.817

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