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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

MP3/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.3975   0.0000 -1.3975 0.0000
P2 0.0000 0.0000 0.5597   0.0000 0.5597 0.0000
H3 0.0000 -1.1733 -1.6858   -1.1733 -1.6858 0.0000
H4 -1.0161 0.5866 -1.6858   0.5866 -1.6858 -1.0161
H5 1.0161 0.5866 -1.6858   0.5866 -1.6858 1.0161
H6 0.0000 1.2450 1.2163   1.2450 1.2163 0.0000
H7 -1.0782 -0.6225 1.2163   -0.6225 1.2163 -1.0782
H8 1.0782 -0.6225 1.2163   -0.6225 1.2163 1.0782
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9572 1.2082 1.2082 1.2082 2.8952 2.8952 2.8952
P2 1.9572 2.5336 2.5336 2.5336 1.4076 1.4076 1.4076
H3 1.2082 2.5336 2.0322 2.0322 3.7777 3.1446 3.1446
H4 1.2082 2.5336 2.0322 2.0322 3.1446 3.1446 3.7777
H5 1.2082 2.5336 2.0322 2.0322 3.1446 3.7777 3.1446
H6 2.8952 1.4076 3.7777 3.1446 3.1446 2.1564 2.1564
H7 2.8952 1.4076 3.1446 3.1446 3.7777 2.1564 2.1564
H8 2.8952 1.4076 3.1446 3.7777 3.1446 2.1564 2.1564
Maximum atom distance is 3.7777Å 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 117.807 B1 P2 H7 117.807
B1 P2 H8 117.807 P2 B1 H3 103.807
P2 B1 H4 103.807 P2 B1 H5 103.807
H3 B1 H4 114.492 H3 B1 H5 114.492
H4 B1 H5 114.492 H6 P2 H7 99.996
H6 P2 H8 99.996 H7 P2 H8 99.996

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