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

QCISD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0317 0.6638 0.0000   0.0012 0.0317 0.6638
F2 0.0317 -0.6895 0.0000   0.0012 0.0317 -0.6895
H3 -0.2380 1.1111 0.9517   0.9422 -0.2732 1.1111
H4 -0.2380 1.1111 -0.9517   -0.9599 -0.2024 1.1111
Atom - Atom Distances (Å)
  C1 F2 H3 H4
C1 1.3533 1.0856 1.0856
F2 1.3533 2.0544 2.0544
H3 1.0856 2.0544 1.9035
H4 1.0856 2.0544 1.9035
Maximum atom distance is 2.0544Å 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 114.330 F2 C1 H4 114.330
H3 C1 H4 122.486

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