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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

MP2/6-31G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.3916   -1.3916 0.0000 0.0000
P2 0.0000 0.0000 0.5575   0.5575 0.0000 0.0000
H3 0.0000 -1.1668 -1.6742   -1.6742 -1.1668 0.0000
H4 -1.0104 0.5834 -1.6742   -1.6742 0.5834 -1.0104
H5 1.0104 0.5834 -1.6742   -1.6742 0.5834 1.0104
H6 0.0000 1.2356 1.2061   1.2061 1.2356 0.0000
H7 -1.0700 -0.6178 1.2061   1.2061 -0.6178 -1.0700
H8 1.0700 -0.6178 1.2061   1.2061 -0.6178 1.0700
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9491 1.2005 1.2005 1.2005 2.8765 2.8765 2.8765
P2 1.9491 2.5183 2.5183 2.5183 1.3954 1.3954 1.3954
H3 1.2005 2.5183 2.0209 2.0209 3.7506 3.1213 3.1213
H4 1.2005 2.5183 2.0209 2.0209 3.1213 3.1213 3.7506
H5 1.2005 2.5183 2.0209 2.0209 3.1213 3.7506 3.1213
H6 2.8765 1.3954 3.7506 3.1213 3.1213 2.1400 2.1400
H7 2.8765 1.3954 3.1213 3.1213 3.7506 2.1400 2.1400
H8 2.8765 1.3954 3.1213 3.7506 3.1213 2.1400 2.1400
Maximum atom distance is 3.7506Å 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 117.695 B1 P2 H7 117.695
B1 P2 H8 117.695 P2 B1 H3 103.616
P2 B1 H4 103.616 P2 B1 H5 103.616
H3 B1 H4 114.637 H3 B1 H5 114.637
H4 B1 H5 114.637 H6 P2 H7 100.136
H6 P2 H8 100.136 H7 P2 H8 100.136

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