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Geometry for BH2NH2 (Boranamine) 1A1 C2V

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

B3LYP/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 -0.7908   -0.7908 0.0000 0.0000
N2 0.0000 0.0000 0.6222   0.6222 0.0000 0.0000
H3 0.0000 1.0524 -1.3773   -1.3773 1.0524 0.0000
H4 0.0000 -1.0524 -1.3773   -1.3773 -1.0524 0.0000
H5 0.0000 0.8550 1.1767   1.1767 0.8550 0.0000
H6 0.0000 -0.8550 1.1767   1.1767 -0.8550 0.0000
Atom - Atom Distances (Å)
  B1 N2 H3 H4 H5 H6
B1 1.4130 1.2048 1.2048 2.1452 2.1452
N2 1.4130 2.2596 2.2596 1.0190 1.0190
H3 1.2048 2.2596 2.1048 2.5616 3.1876
H4 1.2048 2.2596 2.1048 3.1876 2.5616
H5 2.1452 1.0190 2.5616 3.1876 1.7100
H6 2.1452 1.0190 3.1876 2.5616 1.7100
Maximum atom distance is 3.1876Å 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 122.965 B1 N2 H6 122.965
N2 B1 H3 119.134 N2 B1 H4 119.134
H3 B1 H4 121.732 H5 N2 H6 114.071

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