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Geometry for HBNH (Boranimine) 1Σ C*V

1910171554
InChI=1S/BH2N/c1-2/h1-2H INChIKey=LNLSXDSWJBUPHM-UHFFFAOYSA-N

B2PLYP=FULLultrafine/6-311G**


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
B1 0.0000 0.0000 -0.6952
N2 0.0000 0.0000 0.5430
H3 0.0000 0.0000 -1.8606
H4 0.0000 0.0000 1.5357
Atom - Atom Distances (Å)
  B1 N2 H3 H4
B1 1.2382 1.1655 2.2309
N2 1.2382 2.4036 0.9927
H3 1.1655 2.4036 3.3963
H4 2.2309 0.9927 3.3963
Maximum atom distance is 3.3963Å between atoms H3 and H4.
picture of Boranimine
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
B1 N2 H4 180.000 N2 B1 H3 180.000

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