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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

MP2/CEP-31G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.5111   -1.5111 0.0000 0.0000
P2 0.0000 0.0000 0.6042   0.6042 0.0000 0.0000
H3 0.0000 -1.1977 -1.7791   -1.7791 -1.1977 0.0000
H4 -1.0373 0.5989 -1.7791   -1.7791 0.5989 -1.0373
H5 1.0373 0.5989 -1.7791   -1.7791 0.5989 1.0373
H6 0.0000 1.2732 1.2769   1.2769 1.2732 0.0000
H7 -1.1027 -0.6366 1.2769   1.2769 -0.6366 -1.1027
H8 1.1027 -0.6366 1.2769   1.2769 -0.6366 1.1027
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 2.1153 1.2273 1.2273 1.2273 3.0650 3.0650 3.0650
P2 2.1153 2.6673 2.6673 2.6673 1.4400 1.4400 1.4400
H3 1.2273 2.6673 2.0745 2.0745 3.9299 3.2969 3.2969
H4 1.2273 2.6673 2.0745 2.0745 3.2969 3.2969 3.9299
H5 1.2273 2.6673 2.0745 2.0745 3.2969 3.9299 3.2969
H6 3.0650 1.4400 3.9299 3.2969 3.2969 2.2053 2.2053
H7 3.0650 1.4400 3.2969 3.2969 3.9299 2.2053 2.2053
H8 3.0650 1.4400 3.2969 3.9299 3.2969 2.2053 2.2053
Maximum atom distance is 3.9299Å 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 117.850 B1 P2 H7 117.850
B1 P2 H8 117.850 P2 B1 H3 102.609
P2 B1 H4 102.609 P2 B1 H5 102.609
H3 B1 H4 115.373 H3 B1 H5 115.373
H4 B1 H5 115.373 H6 P2 H7 99.942
H6 P2 H8 99.942 H7 P2 H8 99.942

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