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 H2POH (Phosphinous acid) 1A1' CS trans

1910171554
InChI=1S/H3OP/c1-2/h1H,2H2 INChIKey=RYIOLWQRQXDECZ-UHFFFAOYSA-N

G3MP2
This model chemistry uses a geometry from MP2=FULL/6-31G*


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
P1 -0.1065 -0.5708 0.0000
O2 -0.1065 1.0996 0.0000
H3 0.7856 1.4858 0.0000
H4 0.8320 -0.8604 1.0303
H5 0.8320 -0.8604 -1.0303
Atom - Atom Distances (Å)
  P1 O2 H3 H4 H5
P1 1.6704 2.2417 1.4235 1.4235
O2 1.6704 0.9721 2.4050 2.4050
H3 2.2417 0.9721 2.5629 2.5629
H4 1.4235 2.4050 2.5629 2.0606
H5 1.4235 2.4050 2.5629 2.0606
Maximum atom distance is 2.5629Å between atoms H3 and H4.
picture of Phosphinous acid
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

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