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Geometry for CH2I2 (Diiodomethane) 1A1 C2V

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

B3LYP/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 1.0143   1.0143 0.0000 0.0000
I2 0.0000 1.8503 -0.0888   -0.0888 0.0000 1.8503
I3 0.0000 -1.8503 -0.0888   -0.0888 0.0000 -1.8503
H4 -0.8908 0.0000 1.6613   1.6613 -0.8908 0.0000
H5 0.8908 0.0000 1.6613   1.6613 0.8908 0.0000
Atom - Atom Distances (Å)
  C1 I2 I3 H4 H5
C1 2.1541 2.1541 1.1010 1.1010
I2 2.1541 3.7006 2.6981 2.6981
I3 2.1541 3.7006 2.6981 2.6981
H4 1.1010 2.6981 2.6981 1.7816
H5 1.1010 2.6981 2.6981 1.7816
Maximum atom distance is 3.7006Å 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 118.398
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
I2 C1 H4 107.514 I2 C1 H5 107.514
I3 C1 H4 107.514 I3 C1 H5 107.514
H4 C1 H5 108.012

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