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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

HF/6-31+G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.4407   0.0000 1.4407 -0.0000
P2 0.0000 0.0000 0.5804   0.0000 -0.5804 0.0000
H3 0.0000 -1.1739 -1.7169   -1.1739 1.7169 -0.0000
H4 -1.0166 0.5870 -1.7169   0.5870 1.7169 1.0166
H5 1.0166 0.5870 -1.7169   0.5870 1.7169 -1.0166
H6 0.0000 1.2392 1.2162   1.2392 -1.2162 0.0000
H7 -1.0732 -0.6196 1.2162   -0.6196 -1.2162 1.0732
H8 1.0732 -0.6196 1.2162   -0.6196 -1.2162 -1.0732
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 2.0210 1.2060 1.2060 1.2060 2.9317 2.9317 2.9317
P2 2.0210 2.5798 2.5798 2.5798 1.3928 1.3928 1.3928
H3 1.2060 2.5798 2.0333 2.0333 3.7982 3.1721 3.1721
H4 1.2060 2.5798 2.0333 2.0333 3.1721 3.1721 3.7982
H5 1.2060 2.5798 2.0333 2.0333 3.1721 3.7982 3.1721
H6 2.9317 1.3928 3.7982 3.1721 3.1721 2.1463 2.1463
H7 2.9317 1.3928 3.1721 3.1721 3.7982 2.1463 2.1463
H8 2.9317 1.3928 3.1721 3.7982 3.1721 2.1463 2.1463
Maximum atom distance is 3.7982Å 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 117.165 B1 P2 H7 117.165
B1 P2 H8 117.165 P2 B1 H3 103.242
P2 B1 H4 103.242 P2 B1 H5 103.242
H3 B1 H4 114.916 H3 B1 H5 114.916
H4 B1 H5 114.916 H6 P2 H7 100.798
H6 P2 H8 100.798 H7 P2 H8 100.798

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