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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

CCSD=FULL/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.3958   0.0000 1.3958 0.0000
P2 0.0000 0.0000 0.5590   0.0000 -0.5590 -0.0000
H3 0.0000 -1.1750 -1.6864   -1.1750 1.6864 0.0000
H4 -1.0176 0.5875 -1.6864   0.5875 1.6864 1.0176
H5 1.0176 0.5875 -1.6864   0.5875 1.6864 -1.0176
H6 0.0000 1.2469 1.2176   1.2469 -1.2176 -0.0000
H7 -1.0798 -0.6234 1.2176   -0.6234 -1.2176 1.0798
H8 1.0798 -0.6234 1.2176   -0.6234 -1.2176 -1.0798
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9548 1.2104 1.2104 1.2104 2.8956 2.8956 2.8956
P2 1.9548 2.5342 2.5342 2.5342 1.4101 1.4101 1.4101
H3 1.2104 2.5342 2.0351 2.0351 3.7813 3.1469 3.1469
H4 1.2104 2.5342 2.0351 2.0351 3.1469 3.1469 3.7813
H5 1.2104 2.5342 2.0351 2.0351 3.1469 3.7813 3.1469
H6 2.8956 1.4101 3.7813 3.1469 3.1469 2.1597 2.1597
H7 2.8956 1.4101 3.1469 3.1469 3.7813 2.1597 2.1597
H8 2.8956 1.4101 3.1469 3.7813 3.1469 2.1597 2.1597
Maximum atom distance is 3.7813Å 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 117.840 B1 P2 H7 117.840
B1 P2 H8 117.840 P2 B1 H3 103.890
P2 B1 H4 103.890 P2 B1 H5 103.890
H3 B1 H4 114.428 H3 B1 H5 114.428
H4 B1 H5 114.428 H6 P2 H7 99.954
H6 P2 H8 99.954 H7 P2 H8 99.954

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