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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

B97D3/3-21G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.4633   -1.4633 0.0000 0.0000
P2 0.0000 0.0000 0.5826   0.5826 0.0000 0.0000
H3 0.0000 -1.1857 -1.7308   -1.7308 0.0359 -1.1851
H4 -1.0268 0.5928 -1.7308   -1.7308 -1.0443 0.5615
H5 1.0268 0.5928 -1.7308   -1.7308 1.0084 0.6237
H6 0.0000 1.2631 1.2565   1.2565 -0.0383 1.2625
H7 -1.0938 -0.6315 1.2565   1.2565 -1.0742 -0.6644
H8 1.0938 -0.6315 1.2565   1.2565 1.1125 -0.5981
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 2.0460 1.2155 1.2155 1.2155 2.9988 2.9988 2.9988
P2 2.0460 2.5996 2.5996 2.5996 1.4316 1.4316 1.4316
H3 1.2155 2.5996 2.0536 2.0536 3.8627 3.2292 3.2292
H4 1.2155 2.5996 2.0536 2.0536 3.2292 3.2292 3.8627
H5 1.2155 2.5996 2.0536 2.0536 3.2292 3.8627 3.2292
H6 2.9988 1.4316 3.8627 3.2292 3.2292 2.1877 2.1877
H7 2.9988 1.4316 3.2292 3.2292 3.8627 2.1877 2.1877
H8 2.9988 1.4316 3.2292 3.8627 3.2292 2.1877 2.1877
Maximum atom distance is 3.8627Å between atoms H3 and H6.
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 118.079 B1 P2 H7 118.079
B1 P2 H8 118.079 P2 B1 H3 102.713
P2 B1 H4 102.713 P2 B1 H5 102.713
H3 B1 H4 115.300 H3 B1 H5 115.300
H4 B1 H5 115.300 H6 P2 H7 99.653
H6 P2 H8 99.653 H7 P2 H8 99.653

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