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Geometry for CH2FI (fluoroiodomethane) 1A' CS

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

B2PLYP=FULLultrafine/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5407 -1.5118 0.0000   -1.4648 0.6575 0.0000
F2 -0.6105 -2.3066 0.0000   -2.3473 -0.4280 0.0000
I3 0.0000 0.6259 0.0000   0.6240 -0.0490 0.0000
H4 1.1252 -1.6725 0.9020   -1.5792 1.2527 0.9020
H5 1.1252 -1.6725 -0.9020   -1.5792 1.2527 -0.9020
Atom - Atom Distances (Å)
  C1 F2 I3 H4 H5
C1 1.3989 2.2051 1.0867 1.0867
F2 1.3989 2.9954 2.0563 2.0563
I3 2.2051 2.9954 2.7134 2.7134
H4 1.0867 2.0563 2.7134 1.8040
H5 1.0867 2.0563 2.7134 1.8040
Maximum atom distance is 2.9954Å 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 110.423
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 H4 111.015 F2 C1 H5 111.015
I3 C1 H4 105.974 I3 C1 H5 105.974
H4 C1 H5 112.198

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