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 PF2 (Phosphorus difluoride) 1A1 C2V

1910171554
InChI=1S/F2P/c1-3-2 INChIKey=MSGYRGHIEBLFLX-UHFFFAOYSA-N

MP2/SDD


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.6191   0.0000 0.6191 0.0000
F2 0.0000 1.2974 -0.5159   1.2974 -0.5159 0.0000
F3 0.0000 -1.2974 -0.5159   -1.2974 -0.5159 0.0000
Atom - Atom Distances (Å)
  P1 F2 F3
P1 1.7238 1.7238
F2 1.7238 2.5949
F3 1.7238 2.5949
Maximum atom distance is 2.5949Å between atoms F2 and F3.
picture of Phosphorus difluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 P1 F3 97.645

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