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Geometry for BH4 (borohydride) 2B2 C2V

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

wB97X-D/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.1374   0.1374 0.0000 0.0000
H2 0.0000 0.5733 -1.0092   -1.0092 0.0000 0.5733
H3 0.0000 -0.5733 -1.0092   -1.0092 0.0000 -0.5733
H4 -1.0662 0.0000 0.6658   0.6658 -1.0662 0.0000
H5 1.0662 0.0000 0.6658   0.6658 1.0662 0.0000
Atom - Atom Distances (Å)
  B1 H2 H3 H4 H5
B1 1.2819 1.2819 1.1900 1.1900
H2 1.2819 1.1465 2.0666 2.0666
H3 1.2819 1.1465 2.0666 2.0666
H4 1.1900 2.0666 2.0666 2.1325
H5 1.1900 2.0666 2.0666 2.1325
Maximum atom distance is 2.1325Å 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 53.129 H2 B1 H4 113.400
H2 B1 H5 113.400 H3 B1 H4 113.400
H3 B1 H5 113.400 H4 B1 H5 127.278

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