return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for BH2 (boron dihydride) 2A1 C2V

1910171554
InChI=1S/BH2/h1H2 INChIKey=IOCVPZINIZVUIL-UHFFFAOYSA-N

HF/CEP-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 0.2132   0.0000 0.2132 0.0000
H2 0.0000 1.0690 -0.3197   1.0690 -0.3197 0.0000
H3 0.0000 -1.0690 -0.3197   -1.0690 -0.3197 0.0000
Atom - Atom Distances (Å)
  B1 H2 H3
B1 1.1945 1.1945
H2 1.1945 2.1381
H3 1.1945 2.1381
Maximum atom distance is 2.1381Å between atoms H2 and H3.
picture of boron dihydride
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 127.010

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