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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

1910171554
InChI=1S/BH6P/c1-2/h1-2H3 INChIKey=

CID/6-311G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.3930   -1.3930 0.0000 -0.0000
P2 0.0000 0.0000 0.5608   0.5608 0.0000 0.0000
H3 0.0000 -1.1726 -1.6898   -1.6898 1.1726 0.0000
H4 -1.0155 0.5863 -1.6898   -1.6898 -0.5863 1.0155
H5 1.0155 0.5863 -1.6898   -1.6898 -0.5863 -1.0155
H6 0.0000 1.2459 1.2072   1.2072 -1.2459 -0.0000
H7 -1.0790 -0.6229 1.2072   1.2072 0.6229 1.0790
H8 1.0790 -0.6229 1.2072   1.2072 0.6229 -1.0790
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9538 1.2096 1.2096 1.2096 2.8833 2.8833 2.8833
P2 1.9538 2.5378 2.5378 2.5378 1.4036 1.4036 1.4036
H3 1.2096 2.5378 2.0311 2.0311 3.7738 3.1399 3.1399
H4 1.2096 2.5378 2.0311 2.0311 3.1399 3.1399 3.7738
H5 1.2096 2.5378 2.0311 2.0311 3.1399 3.7738 3.1399
H6 2.8833 1.4036 3.7738 3.1399 3.1399 2.1579 2.1579
H7 2.8833 1.4036 3.1399 3.1399 3.7738 2.1579 2.1579
H8 2.8833 1.4036 3.1399 3.7738 3.1399 2.1579 2.1579
Maximum atom distance is 3.7738Å between atoms H4 and H8.
picture of borane phosphine
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
B1 P2 H6 117.421 B1 P2 H7 117.421
B1 P2 H8 117.421 P2 B1 H3 104.203
P2 B1 H4 104.203 P2 B1 H5 104.203
H3 B1 H4 114.186 H3 B1 H5 114.186
H4 B1 H5 114.186 H6 P2 H7 100.479
H6 P2 H8 100.479 H7 P2 H8 100.479

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