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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

MP3=FULL/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 -1.3931   0.0000 1.3931 0.0000
P2 0.0000 0.0000 0.5587   0.0000 -0.5587 -0.0000
H3 0.0000 -1.1663 -1.6764   -1.1663 1.6764 0.0000
H4 -1.0101 0.5832 -1.6764   0.5832 1.6764 1.0101
H5 1.0101 0.5832 -1.6764   0.5832 1.6764 -1.0101
H6 0.0000 1.2357 1.2045   1.2357 -1.2045 -0.0000
H7 -1.0702 -0.6179 1.2045   -0.6179 -1.2045 1.0702
H8 1.0702 -0.6179 1.2045   -0.6179 -1.2045 -1.0702
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9519 1.2002 1.2002 1.2002 2.8766 2.8766 2.8766
P2 1.9519 2.5211 2.5211 2.5211 1.3943 1.3943 1.3943
H3 1.2002 2.5211 2.0202 2.0202 3.7509 3.1218 3.1218
H4 1.2002 2.5211 2.0202 2.0202 3.1218 3.1218 3.7509
H5 1.2002 2.5211 2.0202 2.0202 3.1218 3.7509 3.1218
H6 2.8766 1.3943 3.7509 3.1218 3.1218 2.1403 2.1403
H7 2.8766 1.3943 3.1218 3.1218 3.7509 2.1403 2.1403
H8 2.8766 1.3943 3.1218 3.7509 3.1218 2.1403 2.1403
Maximum atom distance is 3.7509Å 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 117.591 B1 P2 H7 117.591
B1 P2 H8 117.591 P2 B1 H3 103.649
P2 B1 H4 103.649 P2 B1 H5 103.649
H3 B1 H4 114.612 H3 B1 H5 114.612
H4 B1 H5 114.612 H6 P2 H7 100.266
H6 P2 H8 100.266 H7 P2 H8 100.267

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