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 PH2 (Phosphino radical) 2B1 C2V

1910171554
InChI=1S/H2P/h1H2 INChIKey=FVZVCSNXTFCBQU-UHFFFAOYSA-N

TPSSh/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.1166   0.1166 0.0000 0.0000
H2 0.0000 1.0230 -0.8744   -0.8744 0.0000 1.0230
H3 0.0000 -1.0230 -0.8744   -0.8744 0.0000 -1.0230
Atom - Atom Distances (Å)
  P1 H2 H3
P1 1.4243 1.4243
H2 1.4243 2.0461
H3 1.4243 2.0461
Maximum atom distance is 2.0461Å between atoms H2 and H3.
picture of Phosphino 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
H2 P1 H3 91.824

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