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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

MP2/3-21G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.4790   -1.4790 0.0000 -0.0000
P2 0.0000 0.0000 0.5925   0.5925 0.0000 0.0000
H3 0.0000 -1.1802 -1.7425   -1.7425 1.1802 0.0000
H4 -1.0221 0.5901 -1.7425   -1.7425 -0.5901 1.0221
H5 1.0221 0.5901 -1.7425   -1.7425 -0.5901 -1.0221
H6 0.0000 1.2613 1.2449   1.2449 -1.2613 -0.0000
H7 -1.0923 -0.6306 1.2449   1.2449 0.6306 1.0923
H8 1.0923 -0.6306 1.2449   1.2449 0.6306 -1.0923
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 2.0716 1.2092 1.2092 1.2092 3.0018 3.0018 3.0018
P2 2.0716 2.6163 2.6163 2.6163 1.4200 1.4200 1.4200
H3 1.2092 2.6163 2.0441 2.0441 3.8581 3.2279 3.2279
H4 1.2092 2.6163 2.0441 2.0441 3.2279 3.2279 3.8581
H5 1.2092 2.6163 2.0441 2.0441 3.2279 3.8581 3.2279
H6 3.0018 1.4200 3.8581 3.2279 3.2279 2.1846 2.1846
H7 3.0018 1.4200 3.2279 3.2279 3.8581 2.1846 2.1846
H8 3.0018 1.4200 3.2279 3.8581 3.2279 2.1846 2.1846
Maximum atom distance is 3.8581Å 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 117.348 B1 P2 H7 117.348
B1 P2 H8 117.348 P2 B1 H3 102.584
P2 B1 H4 102.584 P2 B1 H5 102.584
H3 B1 H4 115.391 H3 B1 H5 115.391
H4 B1 H5 115.391 H6 P2 H7 100.570
H6 P2 H8 100.570 H7 P2 H8 100.569

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