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Geometry for BH2NH2 (Boranamine) 1A1 C2V

1910171554
InChI=1S/BH4N/c1-2/h1-2H2 INChIKey=KKAXNAVSOBXHTE-UHFFFAOYSA-N

B3LYP/LANL2DZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -0.7863   -0.7863 0.0000 0.0000
N2 0.0000 0.0000 0.6190   0.6190 0.0000 0.0000
H3 0.0000 1.0415 -1.3705   -1.3705 1.0415 0.0000
H4 0.0000 -1.0415 -1.3705   -1.3705 -1.0415 0.0000
H5 0.0000 0.8511 1.1697   1.1697 0.8511 0.0000
H6 0.0000 -0.8511 1.1697   1.1697 -0.8511 0.0000
Atom - Atom Distances (Å)
  B1 N2 H3 H4 H5 H6
B1 1.4053 1.1941 1.1941 2.1331 2.1331
N2 1.4053 2.2456 2.2456 1.0137 1.0137
H3 1.1941 2.2456 2.0830 2.5473 3.1677
H4 1.1941 2.2456 2.0830 3.1677 2.5473
H5 2.1331 1.0137 2.5473 3.1677 1.7022
H6 2.1331 1.0137 3.1677 2.5473 1.7022
Maximum atom distance is 3.1677Å between atoms H3 and H6.
picture of Boranamine
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 H5 122.903 B1 N2 H6 122.903
N2 B1 H3 119.289 N2 B1 H4 119.289
H3 B1 H4 121.423 H5 N2 H6 114.195

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