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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

MP3/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 -1.3920   0.0000 1.3920 0.0000
P2 0.0000 0.0000 0.5564   0.0000 -0.5564 -0.0000
H3 0.0000 -1.1708 -1.6713   -1.1708 1.6713 0.0000
H4 -1.0140 0.5854 -1.6713   0.5854 1.6713 1.0140
H5 1.0140 0.5854 -1.6713   0.5854 1.6713 -1.0140
H6 0.0000 1.2405 1.2091   1.2405 -1.2091 -0.0000
H7 -1.0743 -0.6202 1.2091   -0.6202 -1.2091 1.0743
H8 1.0743 -0.6202 1.2091   -0.6202 -1.2091 -1.0743
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9485 1.2037 1.2037 1.2037 2.8818 2.8818 2.8818
P2 1.9485 2.5167 2.5167 2.5167 1.4017 1.4017 1.4017
H3 1.2037 2.5167 2.0279 2.0279 3.7564 3.1231 3.1231
H4 1.2037 2.5167 2.0279 2.0279 3.1231 3.1231 3.7564
H5 1.2037 2.5167 2.0279 2.0279 3.1231 3.7564 3.1231
H6 2.8818 1.4017 3.7564 3.1231 3.1231 2.1486 2.1486
H7 2.8818 1.4017 3.1231 3.1231 3.7564 2.1486 2.1486
H8 2.8818 1.4017 3.1231 3.7564 3.1231 2.1486 2.1486
Maximum atom distance is 3.7564Å 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 117.749 B1 P2 H7 117.749
B1 P2 H8 117.749 P2 B1 H3 103.415
P2 B1 H4 103.415 P2 B1 H5 103.415
H3 B1 H4 114.788 H3 B1 H5 114.788
H4 B1 H5 114.788 H6 P2 H7 100.068
H6 P2 H8 100.068 H7 P2 H8 100.069

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