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

LSDA/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0406 -0.5784 0.0000   -0.5721 0.0947 0.0000
O2 0.0406 1.1106 0.0000   1.1095 -0.0637 0.0000
H3 0.9806 1.3751 0.0000   1.4610 0.8473 0.0000
H4 -0.9576 -0.7916 1.0328   -0.8780 -0.8791 1.0328
H5 -0.9576 -0.7916 -1.0328   -0.8780 -0.8791 -1.0328
Atom - Atom Distances (Å)
  P1 O2 H3 H4 H5
P1 1.6891 2.1679 1.4521 1.4521
O2 1.6891 0.9765 2.3836 2.3836
H3 2.1679 0.9765 3.0852 3.0852
H4 1.4521 2.3836 3.0852 2.0657
H5 1.4521 2.3836 3.0852 2.0657
Maximum atom distance is 3.0852Å 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 105.715 O2 P1 H4 98.442
O2 P1 H5 98.442 H4 P1 H5 90.675

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