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Geometry for BH2NH2 (Boranamine) 1A1 C2V

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

QCISD/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -0.7800   -0.7800 0.0000 0.0000
N2 0.0000 0.0000 0.6135   0.6135 0.0000 0.0000
H3 0.0000 1.0462 -1.3603   -1.3603 1.0462 0.0000
H4 0.0000 -1.0462 -1.3603   -1.3603 -1.0462 0.0000
H5 0.0000 0.8447 1.1632   1.1632 0.8447 0.0000
H6 0.0000 -0.8447 1.1632   1.1632 -0.8447 0.0000
Atom - Atom Distances (Å)
  B1 N2 H3 H4 H5 H6
B1 1.3935 1.1964 1.1964 2.1188 2.1188
N2 1.3935 2.2339 2.2339 1.0078 1.0078
H3 1.1964 2.2339 2.0924 2.5315 3.1533
H4 1.1964 2.2339 2.0924 3.1533 2.5315
H5 2.1188 1.0078 2.5315 3.1533 1.6894
H6 2.1188 1.0078 3.1533 2.5315 1.6894
Maximum atom distance is 3.1533Å 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 123.054 B1 N2 H6 123.054
N2 B1 H3 119.018 N2 B1 H4 119.018
H3 B1 H4 121.964 H5 N2 H6 113.892

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