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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

M06-2X/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 -1.3879   -1.3879 -0.0000 0.0000
P2 0.0000 0.0000 0.5567   0.5567 0.0000 0.0000
H3 0.0000 -1.1686 -1.6827   -1.6827 1.1686 -0.0000
H4 -1.0120 0.5843 -1.6827   -1.6827 -0.5843 1.0120
H5 1.0120 0.5843 -1.6827   -1.6827 -0.5843 -1.0120
H6 0.0000 1.2372 1.2124   1.2124 -1.2372 0.0000
H7 -1.0715 -0.6186 1.2124   1.2124 0.6186 1.0714
H8 1.0715 -0.6186 1.2124   1.2124 0.6186 -1.0715
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9446 1.2052 1.2052 1.2052 2.8796 2.8796 2.8796
P2 1.9446 2.5259 2.5259 2.5259 1.4002 1.4002 1.4002
H3 1.2052 2.5259 2.0240 2.0240 3.7642 3.1355 3.1355
H4 1.2052 2.5259 2.0240 2.0240 3.1355 3.1355 3.7642
H5 1.2052 2.5259 2.0240 2.0240 3.1355 3.7642 3.1355
H6 2.8796 1.4002 3.7642 3.1355 3.1355 2.1429 2.1429
H7 2.8796 1.4002 3.1355 3.1355 3.7642 2.1429 2.1429
H8 2.8796 1.4002 3.1355 3.7642 3.1355 2.1429 2.1429
Maximum atom distance is 3.7642Å 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 117.922 B1 P2 H7 117.922
B1 P2 H8 117.922 P2 B1 H3 104.156
P2 B1 H4 104.156 P2 B1 H5 104.156
H3 B1 H4 114.223 H3 B1 H5 114.223
H4 B1 H5 114.223 H6 P2 H7 99.851
H6 P2 H8 99.851 H7 P2 H8 99.851

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