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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

HF/CEP-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 -1.4882   -1.4882 0.0000 0.0000
P2 0.0000 0.0000 0.5953   0.5953 0.0000 0.0000
H3 0.0000 -1.1834 -1.7503   -1.7503 -1.0585 0.5292
H4 -1.0249 0.5917 -1.7503   -1.7503 0.0709 -1.1813
H5 1.0249 0.5917 -1.7503   -1.7503 0.9876 0.6521
H6 0.0000 1.2465 1.2542   1.2542 1.1149 -0.5574
H7 -1.0795 -0.6232 1.2542   1.2542 -1.0402 -0.6868
H8 1.0795 -0.6232 1.2542   1.2542 -0.0747 1.2442
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 2.0836 1.2121 1.2121 1.2121 3.0124 3.0124 3.0124
P2 2.0836 2.6273 2.6273 2.6273 1.4099 1.4099 1.4099
H3 1.2121 2.6273 2.0498 2.0498 3.8641 3.2413 3.2413
H4 1.2121 2.6273 2.0498 2.0498 3.2413 3.2413 3.8641
H5 1.2121 2.6273 2.0498 2.0498 3.2413 3.8641 3.2413
H6 3.0124 1.4099 3.8641 3.2413 3.2413 2.1590 2.1590
H7 3.0124 1.4099 3.2413 3.2413 3.8641 2.1590 2.1590
H8 3.0124 1.4099 3.2413 3.8641 3.2413 2.1590 2.1590
Maximum atom distance is 3.8641Å 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 117.861 B1 P2 H7 117.861
B1 P2 H8 117.861 P2 B1 H3 102.487
P2 B1 H4 102.487 P2 B1 H5 102.487
H3 B1 H4 115.460 H3 B1 H5 115.460
H4 B1 H5 115.460 H6 P2 H7 99.928
H6 P2 H8 99.928 H7 P2 H8 99.928

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