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Geometry for BH4 (borohydride) 2B2 C2V

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

MP2=FULL/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.1515   0.1515 0.0000 0.0000
H2 0.0000 0.5213 -1.0367   -1.0367 0.0000 0.5213
H3 0.0000 -0.5213 -1.0367   -1.0367 0.0000 -0.5213
H4 -1.0800 0.0000 0.6579   0.6579 -1.0800 0.0000
H5 1.0800 0.0000 0.6579   0.6579 1.0800 0.0000
Atom - Atom Distances (Å)
  B1 H2 H3 H4 H5
B1 1.2976 1.2976 1.1928 1.1928
H2 1.2976 1.0426 2.0760 2.0760
H3 1.2976 1.0426 2.0760 2.0760
H4 1.1928 2.0760 2.0760 2.1600
H5 1.1928 2.0760 2.0760 2.1600
Maximum atom distance is 2.1600Å 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 47.378 H2 B1 H4 112.878
H2 B1 H5 112.878 H3 B1 H4 112.878
H3 B1 H5 112.878 H4 B1 H5 129.757

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