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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

MP2/6-311G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.3815   -1.3815 -0.0000 0.0000
P2 0.0000 0.0000 0.5562   0.5562 0.0000 0.0000
H3 0.0000 -1.1712 -1.6803   -1.6803 1.1712 -0.0000
H4 -1.0143 0.5856 -1.6803   -1.6803 -0.5856 1.0143
H5 1.0143 0.5856 -1.6803   -1.6803 -0.5856 -1.0143
H6 0.0000 1.2457 1.2015   1.2015 -1.2457 0.0000
H7 -1.0788 -0.6228 1.2015   1.2015 0.6228 1.0788
H8 1.0788 -0.6228 1.2015   1.2015 0.6228 -1.0788
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9377 1.2087 1.2087 1.2087 2.8677 2.8677 2.8677
P2 1.9377 2.5246 2.5246 2.5246 1.4029 1.4029 1.4029
H3 1.2087 2.5246 2.0286 2.0286 3.7611 3.1256 3.1256
H4 1.2087 2.5246 2.0286 2.0286 3.1256 3.1256 3.7611
H5 1.2087 2.5246 2.0286 2.0286 3.1256 3.7611 3.1256
H6 2.8677 1.4029 3.7611 3.1256 3.1256 2.1575 2.1575
H7 2.8677 1.4029 3.1256 3.1256 3.7611 2.1575 2.1575
H8 2.8677 1.4029 3.1256 3.7611 3.1256 2.1575 2.1575
Maximum atom distance is 3.7611Å 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 117.385 B1 P2 H7 117.385
B1 P2 H8 117.385 P2 B1 H3 104.312
P2 B1 H4 104.312 P2 B1 H5 104.312
H3 B1 H4 114.101 H3 B1 H5 114.101
H4 B1 H5 114.101 H6 P2 H7 100.524
H6 P2 H8 100.524 H7 P2 H8 100.524

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