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Geometry for BH4 (borohydride) 2B2 C2V

1910171554
InChI=1S/BH4/h1H4 INChIKey=RPHDAPRHVMJYOJ-UHFFFAOYSA-N

CCD/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.1522   0.1522 0.0000 0.0000
H2 0.0000 0.5119 -1.0302   -1.0302 0.0000 0.5119
H3 0.0000 -0.5119 -1.0302   -1.0302 0.0000 -0.5119
H4 -1.0723 0.0000 0.6496   0.6496 -1.0723 0.0000
H5 1.0723 0.0000 0.6496   0.6496 1.0723 0.0000
Atom - Atom Distances (Å)
  B1 H2 H3 H4 H5
B1 1.2885 1.2885 1.1821 1.1821
H2 1.2885 1.0238 2.0576 2.0576
H3 1.2885 1.0238 2.0576 2.0576
H4 1.1821 2.0576 2.0576 2.1446
H5 1.1821 2.0576 2.0576 2.1446
Maximum atom distance is 2.1446Å between atoms H4 and H5.
picture of borohydride
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
H2 B1 H3 46.816 H2 B1 H4 112.716
H2 B1 H5 112.716 H3 B1 H4 112.716
H3 B1 H5 112.716 H4 B1 H5 130.230

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