return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for CH2F (fluoromethyl radical) 2A CS

1910171554
InChI=1S/CH2F/c1-2/h1H2 INChIKey=VUWZPRWSIVNGKG-UHFFFAOYSA-N

PBEPBEultrafine/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0227 0.6592 0.0000   0.0007 0.0227 0.6592
F2 0.0227 -0.6882 0.0000   0.0007 0.0227 -0.6882
H3 -0.1704 1.1194 0.9669   0.9612 -0.1999 1.1194
H4 -0.1704 1.1194 -0.9669   -0.9716 -0.1408 1.1194
Atom - Atom Distances (Å)
  C1 F2 H3 H4
C1 1.3474 1.0881 1.0881
F2 1.3474 2.0590 2.0590
H3 1.0881 2.0590 1.9338
H4 1.0881 2.0590 1.9338
Maximum atom distance is 2.0590Å between atoms F2 and H3.
picture of fluoromethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 H3 115.021 F2 C1 H4 115.021
H3 C1 H4 125.396

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