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Geometry for BH2NH2 (Boranamine) 1A1 C2V

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

B3LYPultrafine/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -0.7850   -0.7850 0.0000 0.0000
N2 0.0000 0.0000 0.6166   0.6166 0.0000 0.0000
H3 0.0000 1.0442 -1.3688   -1.3688 1.0442 0.0000
H4 0.0000 -1.0442 -1.3688   -1.3688 -1.0442 0.0000
H5 0.0000 0.8522 1.1734   1.1734 0.8522 0.0000
H6 0.0000 -0.8522 1.1734   1.1734 -0.8522 0.0000
Atom - Atom Distances (Å)
  B1 N2 H3 H4 H5 H6
B1 1.4016 1.1963 1.1963 2.1358 2.1358
N2 1.4016 2.2432 2.2432 1.0180 1.0180
H3 1.1963 2.2432 2.0884 2.5495 3.1716
H4 1.1963 2.2432 2.0884 3.1716 2.5495
H5 2.1358 1.0180 2.5495 3.1716 1.7043
H6 2.1358 1.0180 3.1716 2.5495 1.7043
Maximum atom distance is 3.1716Å 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 123.164 B1 N2 H6 123.164
N2 B1 H3 119.207 N2 B1 H4 119.207
H3 B1 H4 121.586 H5 N2 H6 113.671

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