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Geometry for BH2NH2 (Boranamine) 1A1 C2V

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

B3LYP/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -0.7803   -0.7803 0.0000 0.0000
N2 0.0000 0.0000 0.6121   0.6121 0.0000 0.0000
H3 0.0000 1.0471 -1.3602   -1.3602 1.0471 0.0000
H4 0.0000 -1.0471 -1.3602   -1.3602 -1.0471 0.0000
H5 0.0000 0.8445 1.1683   1.1683 0.8445 0.0000
H6 0.0000 -0.8445 1.1683   1.1683 -0.8445 0.0000
Atom - Atom Distances (Å)
  B1 N2 H3 H4 H5 H6
B1 1.3924 1.1970 1.1970 2.1237 2.1237
N2 1.3924 2.2331 2.2331 1.0112 1.0112
H3 1.1970 2.2331 2.0943 2.5367 3.1578
H4 1.1970 2.2331 2.0943 3.1578 2.5367
H5 2.1237 1.0112 2.5367 3.1578 1.6889
H6 2.1237 1.0112 3.1578 2.5367 1.6889
Maximum atom distance is 3.1578Å 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 123.370 B1 N2 H6 123.370
N2 B1 H3 118.980 N2 B1 H4 118.980
H3 B1 H4 122.040 H5 N2 H6 113.260

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