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 cis

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

PBEPBE/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0389 -0.6070 0.0000   -0.6011 0.0931 0.0000
O2 0.0389 1.1680 0.0000   1.1668 -0.0659 0.0000
H3 1.0105 1.4324 0.0000   1.5172 0.8781 0.0000
H4 -0.9523 -0.8359 1.0509   -0.9179 -0.8736 1.0509
H5 -0.9523 -0.8359 -1.0509   -0.9179 -0.8736 -1.0509
Atom - Atom Distances (Å)
  P1 O2 H3 H4 H5
P1 1.7750 2.2590 1.4626 1.4626
O2 1.7750 1.0070 2.4704 2.4704
H3 2.2590 1.0070 3.1784 3.1784
H4 1.4626 2.4704 3.1784 2.1019
H5 1.4626 2.4704 3.1784 2.1019
Maximum atom distance is 3.1784Å 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
P1 O2 H3 105.220 O2 P1 H4 99.003
O2 P1 H5 99.003 H4 P1 H5 91.864

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