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Geometry for BH3NH3 (borane ammonia) 1A1 C3V

1910171554
InChI=1S/BH6N/c1-2/h1-2H3 INChIKey=PJYXJGDRFASJSB-UHFFFAOYSA-N

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Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -0.9305   0.0000 -0.9305 0.0000
N2 0.0000 0.0000 0.7268   0.0000 0.7268 0.0000
H3 0.0000 -1.1684 -1.2384   -1.1684 -1.2384 0.0000
H4 -1.0118 0.5842 -1.2384   0.5842 -1.2384 -1.0118
H5 1.0118 0.5842 -1.2384   0.5842 -1.2384 1.0118
H6 0.0000 0.9478 1.0935   0.9478 1.0935 0.0000
H7 -0.8208 -0.4739 1.0935   -0.4739 1.0935 -0.8208
H8 0.8208 -0.4739 1.0935   -0.4739 1.0935 0.8208
Atom - Atom Distances (Å)
  B1 N2 H3 H4 H5 H6 H7 H8
B1 1.6573 1.2083 1.2083 1.2083 2.2349 2.2349 2.2349
N2 1.6573 2.2863 2.2863 2.2863 1.0163 1.0163 1.0163
H3 1.2083 2.2863 2.0237 2.0237 3.1489 2.5678 2.5678
H4 1.2083 2.2863 2.0237 2.0237 2.5678 2.5678 3.1489
H5 1.2083 2.2863 2.0237 2.0237 2.5678 3.1489 2.5678
H6 2.2349 1.0163 3.1489 2.5678 2.5678 1.6416 1.6416
H7 2.2349 1.0163 2.5678 2.5678 3.1489 1.6416 1.6416
H8 2.2349 1.0163 2.5678 3.1489 2.5678 1.6416 1.6416
Maximum atom distance is 3.1489Å between atoms H4 and H8.
picture of borane ammonia
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 H6 111.152 B1 N2 H7 111.152
B1 N2 H8 111.152 N2 B1 H3 104.763
N2 B1 H4 104.763 N2 B1 H5 104.763
H3 B1 H4 113.740 H3 B1 H5 113.740
H4 B1 H5 113.740 H6 N2 H7 107.739
H6 N2 H8 107.739 H7 N2 H8 107.739

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