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Geometry for BH4 (borohydride) 2B2 C2V

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

B2PLYP=FULL/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.1446   0.1446 0.0000 0.0000
H2 0.0000 0.5380 -1.0166   -1.0166 0.0000 0.5380
H3 0.0000 -0.5380 -1.0166   -1.0166 0.0000 -0.5380
H4 -1.0648 0.0000 0.6551   0.6551 -1.0648 0.0000
H5 1.0648 0.0000 0.6551   0.6551 1.0648 0.0000
Atom - Atom Distances (Å)
  B1 H2 H3 H4 H5
B1 1.2798 1.2798 1.1809 1.1809
H2 1.2798 1.0759 2.0538 2.0538
H3 1.2798 1.0759 2.0538 2.0538
H4 1.1809 2.0538 2.0538 2.1297
H5 1.1809 2.0538 2.0538 2.1297
Maximum atom distance is 2.1297Å 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 49.714 H2 B1 H4 113.093
H2 B1 H5 113.093 H3 B1 H4 113.093
H3 B1 H5 113.093 H4 B1 H5 128.776

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