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Geometry for NH3BF3 (Amminetrifluoroboron) 1A1 C3V

1910171554
InChI=1S/BF3H3N/c2-1(3,4)5/h5H3 INChIKey=KSFLLKZSRZJUQP-UHFFFAOYSA-N

M06-2X/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 1.4678   0.0000 1.4678 0.0000
B2 0.0000 0.0000 -0.2272   0.0000 -0.2272 0.0000
F3 0.0000 1.3291 -0.5410   1.3291 -0.5410 0.0000
F4 1.1510 -0.6645 -0.5410   -0.6645 -0.5410 1.1510
F5 -1.1510 -0.6645 -0.5410   -0.6645 -0.5410 -1.1510
H6 0.0000 -0.9559 1.8224   -0.9559 1.8224 0.0000
H7 0.8278 0.4780 1.8224   0.4780 1.8224 0.8278
H8 -0.8278 0.4780 1.8224   0.4780 1.8224 -0.8278
Atom - Atom Distances (Å)
  N1 B2 F3 F4 F5 H6 H7 H8
N1 1.6950 2.4087 2.4087 2.4087 1.0196 1.0196 1.0196
B2 1.6950 1.3656 1.3656 1.3656 2.2615 2.2615 2.2615
F3 2.4087 1.3656 2.3020 2.3020 3.2874 2.6449 2.6449
F4 2.4087 1.3656 2.3020 2.3020 2.6449 2.6449 3.2874
F5 2.4087 1.3656 2.3020 2.3020 2.6449 3.2874 2.6449
H6 1.0196 2.2615 3.2874 2.6449 2.6449 1.6557 1.6557
H7 1.0196 2.2615 2.6449 2.6449 3.2874 1.6557 1.6557
H8 1.0196 2.2615 2.6449 3.2874 2.6449 1.6557 1.6557
Maximum atom distance is 3.2874Å between atoms F4 and H8.
picture of Amminetrifluoroboron
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 B2 F3 103.285 N1 B2 F4 103.285
N1 B2 F5 103.285 F3 B2 F4 114.884
F3 B2 F5 114.884 F4 B2 F5 114.884
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B2 N1 H6 110.353 B2 N1 H7 110.353
B2 N1 H8 110.353 H6 N1 H7 108.575
H6 N1 H8 108.575 H7 N1 H8 108.575

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