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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

B1B95/aug-cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.3743   -1.3743 -0.0000 0.0000
P2 0.0000 0.0000 0.5472   0.5472 0.0000 0.0000
H3 0.0000 -1.1700 -1.6563   -1.6563 1.1700 -0.0000
H4 -1.0132 0.5850 -1.6563   -1.6563 -0.5850 1.0132
H5 1.0132 0.5850 -1.6563   -1.6563 -0.5850 -1.0132
H6 0.0000 1.2389 1.2109   1.2109 -1.2389 0.0000
H7 -1.0730 -0.6195 1.2109   1.2109 0.6195 1.0729
H8 1.0730 -0.6195 1.2109   1.2109 0.6195 -1.0730
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9215 1.2035 1.2035 1.2035 2.8667 2.8667 2.8667
P2 1.9215 2.4949 2.4949 2.4949 1.4055 1.4055 1.4055
H3 1.2035 2.4949 2.0265 2.0265 3.7448 3.1105 3.1105
H4 1.2035 2.4949 2.0265 2.0265 3.1105 3.1105 3.7448
H5 1.2035 2.4949 2.0265 2.0265 3.1105 3.7448 3.1105
H6 2.8667 1.4055 3.7448 3.1105 3.1105 2.1459 2.1459
H7 2.8667 1.4055 3.1105 3.1105 3.7448 2.1459 2.1459
H8 2.8667 1.4055 3.1105 3.7448 3.1105 2.1459 2.1459
Maximum atom distance is 3.7448Å 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 118.177 B1 P2 H7 118.177
B1 P2 H8 118.177 P2 B1 H3 103.553
P2 B1 H4 103.553 P2 B1 H5 103.553
H3 B1 H4 114.684 H3 B1 H5 114.684
H4 B1 H5 114.684 H6 P2 H7 99.529
H6 P2 H8 99.529 H7 P2 H8 99.529

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