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Geometry for NH3BF3 (Amminetrifluoroboron) 1A1 C3V

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

B97D3/6-31+G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 1.4899   1.4899 0.0000 0.0000
B2 0.0000 0.0000 -0.2208   -0.2208 0.0000 0.0000
F3 0.0000 1.3487 -0.5505   -0.5505 1.0846 0.8016
F4 1.1680 -0.6743 -0.5505   -0.5505 -1.2365 0.5385
F5 -1.1680 -0.6743 -0.5505   -0.5505 0.1519 -1.3401
H6 0.0000 -0.9572 1.8461   1.8461 -0.7698 -0.5689
H7 0.8289 0.4786 1.8461   1.8461 -0.1078 0.9511
H8 -0.8289 0.4786 1.8461   1.8461 0.8776 -0.3822
Atom - Atom Distances (Å)
  N1 B2 F3 F4 F5 H6 H7 H8
N1 1.7107 2.4458 2.4458 2.4458 1.0213 1.0213 1.0213
B2 1.7107 1.3884 1.3884 1.3884 2.2778 2.2778 2.2778
F3 2.4458 1.3884 2.3360 2.3360 3.3257 2.6810 2.6810
F4 2.4458 1.3884 2.3360 2.3360 2.6810 2.6810 3.3257
F5 2.4458 1.3884 2.3360 2.3360 2.6810 3.3257 2.6810
H6 1.0213 2.2778 3.3257 2.6810 2.6810 1.6579 1.6579
H7 1.0213 2.2778 2.6810 2.6810 3.3257 1.6579 1.6579
H8 1.0213 2.2778 2.6810 3.3257 2.6810 1.6579 1.6579
Maximum atom distance is 3.3257Å 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 103.736 N1 B2 F4 103.736
N1 B2 F5 103.736 F3 B2 F4 114.546
F3 B2 F5 114.546 F4 B2 F5 114.546
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B2 N1 H6 110.413 B2 N1 H7 110.413
B2 N1 H8 110.413 H6 N1 H7 108.513
H6 N1 H8 108.513 H7 N1 H8 108.513

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