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Geometry for HBNH (Boranimine) 1Σ C*V

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

PBEPBEultrafine/TZVP


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
B1 0.0000 0.0000 -0.6988
N2 0.0000 0.0000 0.5463
H3 0.0000 0.0000 -1.8755
H4 0.0000 0.0000 1.5458
Atom - Atom Distances (Å)
  B1 N2 H3 H4
B1 1.2451 1.1767 2.2446
N2 1.2451 2.4218 0.9995
H3 1.1767 2.4218 3.4213
H4 2.2446 0.9995 3.4213
Maximum atom distance is 3.4213Å 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.