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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

MP2=FULL/cc-pVQZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.3687   0.0000 1.3687 -0.0000
P2 0.0000 0.0000 0.5471   0.0000 -0.5471 0.0000
H3 0.0000 -1.1655 -1.6482   -1.1655 1.6482 -0.0000
H4 -1.0094 0.5828 -1.6482   0.5828 1.6482 1.0094
H5 1.0094 0.5828 -1.6482   0.5828 1.6482 -1.0094
H6 0.0000 1.2330 1.1937   1.2330 -1.1937 0.0000
H7 -1.0678 -0.6165 1.1937   -0.6165 -1.1937 1.0678
H8 1.0678 -0.6165 1.1937   -0.6165 -1.1937 -1.0678
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9158 1.1986 1.1986 1.1986 2.8437 2.8437 2.8437
P2 1.9158 2.4856 2.4856 2.4856 1.3923 1.3923 1.3923
H3 1.1986 2.4856 2.0188 2.0188 3.7189 3.0852 3.0852
H4 1.1986 2.4856 2.0188 2.0188 3.0852 3.0852 3.7189
H5 1.1986 2.4856 2.0188 2.0188 3.0852 3.7189 3.0852
H6 2.8437 1.3923 3.7189 3.0852 3.0852 2.1357 2.1357
H7 2.8437 1.3923 3.0852 3.0852 3.7189 2.1357 2.1357
H8 2.8437 1.3923 3.0852 3.7189 3.0852 2.1357 2.1357
Maximum atom distance is 3.7189Å 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 117.673 B1 P2 H7 117.673
B1 P2 H8 117.673 P2 B1 H3 103.487
P2 B1 H4 103.487 P2 B1 H5 103.487
H3 B1 H4 114.734 H3 B1 H5 114.734
H4 B1 H5 114.734 H6 P2 H7 100.164
H6 P2 H8 100.164 H7 P2 H8 100.164

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