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Geometry for BH2NH2 (Boranamine) 1A1 C2V

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

QCISD(T)/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -0.7883   -0.7883 0.0000 0.0000
N2 0.0000 0.0000 0.6188   0.6188 0.0000 0.0000
H3 0.0000 1.0605 -1.3675   -1.3675 1.0605 0.0000
H4 0.0000 -1.0605 -1.3675   -1.3675 -1.0605 0.0000
H5 0.0000 0.8500 1.1726   1.1726 0.8500 0.0000
H6 0.0000 -0.8500 1.1726   1.1726 -0.8500 0.0000
Atom - Atom Distances (Å)
  B1 N2 H3 H4 H5 H6
B1 1.4071 1.2084 1.2084 2.1372 2.1372
N2 1.4071 2.2517 2.2517 1.0145 1.0145
H3 1.2084 2.2517 2.1211 2.5488 3.1784
H4 1.2084 2.2517 2.1211 3.1784 2.5488
H5 2.1372 1.0145 2.5488 3.1784 1.7000
H6 2.1372 1.0145 3.1784 2.5488 1.7000
Maximum atom distance is 3.1784Å 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 123.084 B1 N2 H6 123.084
N2 B1 H3 118.640 N2 B1 H4 118.640
H3 B1 H4 122.719 H5 N2 H6 113.832

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