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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

QCISD(T)=FULL/aug-cc-pVQZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.3767   0.0000 1.3767 -0.0000
P2 0.0000 0.0000 0.5502   0.0000 -0.5502 0.0000
H3 0.0000 -1.1700 -1.6578   -1.1700 1.6578 -0.0000
H4 -1.0132 0.5850 -1.6578   0.5850 1.6578 1.0132
H5 1.0132 0.5850 -1.6578   0.5850 1.6578 -1.0132
H6 0.0000 1.2356 1.2011   1.2356 -1.2011 0.0000
H7 -1.0700 -0.6178 1.2011   -0.6178 -1.2011 1.0700
H8 1.0700 -0.6178 1.2011   -0.6178 -1.2011 -1.0700
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9269 1.2033 1.2033 1.2033 2.8586 2.8586 2.8586
P2 1.9269 2.4989 2.4989 2.4989 1.3965 1.3965 1.3965
H3 1.2033 2.4989 2.0264 2.0264 3.7363 3.1022 3.1022
H4 1.2033 2.4989 2.0264 2.0264 3.1022 3.1022 3.7363
H5 1.2033 2.4989 2.0264 2.0264 3.1022 3.7363 3.1022
H6 2.8586 1.3965 3.7363 3.1022 3.1022 2.1400 2.1400
H7 2.8586 1.3965 3.1022 3.1022 3.7363 2.1400 2.1400
H8 2.8586 1.3965 3.1022 3.7363 3.1022 2.1400 2.1400
Maximum atom distance is 3.7363Å 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 117.781 B1 P2 H7 117.781
B1 P2 H8 117.781 P2 B1 H3 103.512
P2 B1 H4 103.512 P2 B1 H5 103.512
H3 B1 H4 114.715 H3 B1 H5 114.715
H4 B1 H5 114.715 H6 P2 H7 100.028
H6 P2 H8 100.028 H7 P2 H8 100.028

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