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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

CCD/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 -1.3947   -1.3947 0.0000 -0.0000
P2 0.0000 0.0000 0.5580   0.5580 0.0000 0.0000
H3 0.0000 -1.1721 -1.6754   -1.6754 1.1721 0.0000
H4 -1.0151 0.5861 -1.6754   -1.6754 -0.5861 1.0151
H5 1.0151 0.5861 -1.6754   -1.6754 -0.5861 -1.0151
H6 0.0000 1.2423 1.2098   1.2098 -1.2423 -0.0000
H7 -1.0758 -0.6211 1.2098   1.2098 0.6211 1.0758
H8 1.0758 -0.6211 1.2098   1.2098 0.6211 -1.0758
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9527 1.2053 1.2053 1.2053 2.8855 2.8855 2.8855
P2 1.9527 2.5223 2.5223 2.5223 1.4028 1.4028 1.4028
H3 1.2053 2.5223 2.0302 2.0302 3.7621 3.1281 3.1281
H4 1.2053 2.5223 2.0302 2.0302 3.1281 3.1281 3.7621
H5 1.2053 2.5223 2.0302 2.0302 3.1281 3.7621 3.1281
H6 2.8855 1.4028 3.7621 3.1281 3.1281 2.1517 2.1517
H7 2.8855 1.4028 3.1281 3.1281 3.7621 2.1517 2.1517
H8 2.8855 1.4028 3.1281 3.7621 3.1281 2.1517 2.1517
Maximum atom distance is 3.7621Å between atoms H3 and H6.
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 117.683 B1 P2 H7 117.683
B1 P2 H8 117.683 P2 B1 H3 103.468
P2 B1 H4 103.468 P2 B1 H5 103.468
H3 B1 H4 114.748 H3 B1 H5 114.748
H4 B1 H5 114.748 H6 P2 H7 100.151
H6 P2 H8 100.151 H7 P2 H8 100.151

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