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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

MP3=FULL/aug-cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.3794   -1.3794 -0.0000 0.0000
P2 0.0000 0.0000 0.5514   0.5514 0.0000 0.0000
H3 0.0000 -1.1668 -1.6595   -1.6595 1.1668 -0.0000
H4 -1.0105 0.5834 -1.6595   -1.6595 -0.5834 1.0105
H5 1.0105 0.5834 -1.6595   -1.6595 -0.5834 -1.0105
H6 0.0000 1.2373 1.2017   1.2017 -1.2373 0.0000
H7 -1.0715 -0.6186 1.2017   1.2017 0.6186 1.0715
H8 1.0715 -0.6186 1.2017   1.2017 0.6186 -1.0715
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9308 1.1999 1.1999 1.1999 2.8623 2.8623 2.8623
P2 1.9308 2.4999 2.4999 2.4999 1.3978 1.3978 1.3978
H3 1.1999 2.4999 2.0209 2.0209 3.7371 3.1040 3.1040
H4 1.1999 2.4999 2.0209 2.0209 3.1040 3.1040 3.7371
H5 1.1999 2.4999 2.0209 2.0209 3.1040 3.7371 3.1040
H6 2.8623 1.3978 3.7371 3.1040 3.1040 2.1431 2.1431
H7 2.8623 1.3978 3.1040 3.1040 3.7371 2.1431 2.1431
H8 2.8623 1.3978 3.1040 3.7371 3.1040 2.1431 2.1431
Maximum atom distance is 3.7371Å 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 117.725 B1 P2 H7 117.725
B1 P2 H8 117.725 P2 B1 H3 103.500
P2 B1 H4 103.500 P2 B1 H5 103.500
H3 B1 H4 114.725 H3 B1 H5 114.725
H4 B1 H5 114.725 H6 P2 H7 100.099
H6 P2 H8 100.099 H7 P2 H8 100.099

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