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Geometry for BH4 (borohydride) 2B2 C2V

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

wB97X-D/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.1462   0.1462 0.0000 0.0000
H2 0.0000 0.5373 -1.0251   -1.0251 0.0000 0.5373
H3 0.0000 -0.5373 -1.0251   -1.0251 0.0000 -0.5373
H4 -1.0691 0.0000 0.6595   0.6595 -1.0691 0.0000
H5 1.0691 0.0000 0.6595   0.6595 1.0691 0.0000
Atom - Atom Distances (Å)
  B1 H2 H3 H4 H5
B1 1.2887 1.2887 1.1859 1.1859
H2 1.2887 1.0746 2.0662 2.0662
H3 1.2887 1.0746 2.0662 2.0662
H4 1.1859 2.0662 2.0662 2.1381
H5 1.1859 2.0662 2.0662 2.1381
Maximum atom distance is 2.1381Å 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 49.281 H2 B1 H4 113.165
H2 B1 H5 113.165 H3 B1 H4 113.165
H3 B1 H5 113.165 H4 B1 H5 128.710

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