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Geometry for BH3NH3 (borane ammonia) 1A1 C3V

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

CID/3-21G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -0.9510   -0.9510 0.0000 0.0000
N2 0.0000 0.0000 0.7503   0.7503 0.0000 0.0000
H3 0.0000 -1.1785 -1.2577   -1.2577 -0.4138 -1.1035
H4 -1.0206 0.5893 -1.2577   -1.2577 -0.7487 0.9101
H5 1.0206 0.5893 -1.2577   -1.2577 1.1625 0.1934
H6 0.0000 0.9646 1.0921   1.0921 0.3387 0.9032
H7 -0.8354 -0.4823 1.0921   1.0921 -0.9515 -0.1583
H8 0.8354 -0.4823 1.0921   1.0921 0.6128 -0.7449
Atom - Atom Distances (Å)
  B1 N2 H3 H4 H5 H6 H7 H8
B1 1.7012 1.2178 1.2178 1.2178 2.2593 2.2593 2.2593
N2 1.7012 2.3283 2.3283 2.3283 1.0234 1.0234 1.0234
H3 1.2178 2.3283 2.0412 2.0412 3.1803 2.5892 2.5892
H4 1.2178 2.3283 2.0412 2.0412 2.5892 2.5892 3.1803
H5 1.2178 2.3283 2.0412 2.0412 2.5892 3.1803 2.5892
H6 2.2593 1.0234 3.1803 2.5892 2.5892 1.6707 1.6707
H7 2.2593 1.0234 2.5892 2.5892 3.1803 1.6707 1.6707
H8 2.2593 1.0234 2.5892 3.1803 2.5892 1.6707 1.6707
Maximum atom distance is 3.1803Å between atoms H3 and H6.
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 109.513 B1 N2 H7 109.513
B1 N2 H8 109.513 N2 B1 H3 104.588
N2 B1 H4 104.588 N2 B1 H5 104.588
H3 B1 H4 113.881 H3 B1 H5 113.881
H4 B1 H5 113.881 H6 N2 H7 109.429
H6 N2 H8 109.429 H7 N2 H8 109.429

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