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Geometry for CH2FI (fluoroiodomethane) 1A' CS

1910171554
InChI=1S/CH2FI/c2-1-3/h1H2 INChIKey=XGVXNTVBGYLJIR-UHFFFAOYSA-N

MP2=FULL/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5223 -1.4817 0.0000   -1.5176 0.4066 0.0000
F2 -0.5926 -2.2627 0.0000   -2.2103 -0.7651 0.0000
I3 0.0000 0.6148 0.0000   0.6130 0.0474 0.0000
H4 1.0997 -1.6646 0.9033   -1.7443 0.9682 0.9033
H5 1.0997 -1.6646 -0.9033   -1.7443 0.9682 -0.9033
Atom - Atom Distances (Å)
  C1 F2 I3 H4 H5
C1 1.3611 2.1606 1.0876 1.0876
F2 1.3611 2.9378 2.0093 2.0093
I3 2.1606 2.9378 2.6872 2.6872
H4 1.0876 2.0093 2.6872 1.8067
H5 1.0876 2.0093 2.6872 1.8067
Maximum atom distance is 2.9378Å between atoms F2 and I3.
picture of fluoroiodomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 I3 111.023
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 H4 109.778 F2 C1 H5 109.778
I3 C1 H4 106.946 I3 C1 H5 106.946
H4 C1 H5 112.318

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