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Geometry for CH2ClI (chloroiodomethane) 1A' CS

1910171554
InChI=1S/CH2ClI/c2-1-3/h1H2 INChIKey=PJGJQVRXEUVAFT-UHFFFAOYSA-N

MP2/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8318 -1.0739 0.0000   -1.1357 0.7452 0.0000
Cl2 -0.4616 -2.4299 0.0000   -2.3863 -0.6503 0.0000
I3 0.0000 0.9462 0.0000   0.9433 0.0740 0.0000
H4 1.4282 -1.1991 0.9092   -1.3072 1.3300 0.9092
H5 1.4282 -1.1991 -0.9092   -1.3072 1.3300 -0.9092
Atom - Atom Distances (Å)
  C1 Cl2 I3 H4 H5
C1 1.8739 2.1847 1.0946 1.0946
Cl2 1.8739 3.4075 2.4316 2.4316
I3 2.1847 3.4075 2.7329 2.7329
H4 1.0946 2.4316 2.7329 1.8185
H5 1.0946 2.4316 2.7329 1.8185
Maximum atom distance is 3.4075Å between atoms Cl2 and I3.
picture of chloroiodomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 C1 I3 113.972
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 C1 H4 107.056 Cl2 C1 H5 107.056
I3 C1 H4 108.253 I3 C1 H5 108.253
H4 C1 H5 112.340

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