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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

HF/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 -1.4350   -1.4350 -0.0000 0.0000
P2 0.0000 0.0000 0.5781   0.5781 0.0000 0.0000
H3 0.0000 -1.1741 -1.7128   -1.7128 1.1741 -0.0000
H4 -1.0168 0.5871 -1.7128   -1.7128 -0.5871 1.0168
H5 1.0168 0.5871 -1.7128   -1.7128 -0.5871 -1.0168
H6 0.0000 1.2430 1.2140   1.2140 -1.2430 0.0000
H7 -1.0765 -0.6215 1.2140   1.2140 0.6215 1.0765
H8 1.0765 -0.6215 1.2140   1.2140 0.6215 -1.0765
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 2.0131 1.2066 1.2066 1.2066 2.9261 2.9261 2.9261
P2 2.0131 2.5743 2.5743 2.5743 1.3962 1.3962 1.3962
H3 1.2066 2.5743 2.0337 2.0337 3.7959 3.1671 3.1671
H4 1.2066 2.5743 2.0337 2.0337 3.1671 3.1671 3.7959
H5 1.2066 2.5743 2.0337 2.0337 3.1671 3.7959 3.1671
H6 2.9261 1.3962 3.7959 3.1671 3.1671 2.1529 2.1529
H7 2.9261 1.3962 3.1671 3.1671 3.7959 2.1529 2.1529
H8 2.9261 1.3962 3.1671 3.7959 3.1671 2.1529 2.1529
Maximum atom distance is 3.7959Å 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 117.095 B1 P2 H7 117.095
B1 P2 H8 117.095 P2 B1 H3 103.314
P2 B1 H4 103.314 P2 B1 H5 103.314
H3 B1 H4 114.863 H3 B1 H5 114.863
H4 B1 H5 114.863 H6 P2 H7 100.884
H6 P2 H8 100.884 H7 P2 H8 100.884

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