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Geometry for NH3BF3 (Amminetrifluoroboron) 1A1 C3V

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

B2PLYP=FULL/3-21G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 1.4779   1.4779 0.0000 0.0000
B2 0.0000 0.0000 -0.2133   -0.2133 0.0000 0.0000
F3 0.0000 1.3449 -0.5457   -0.5457 -0.1785 1.3330
F4 1.1648 -0.6725 -0.5457   -0.5457 1.2437 -0.5120
F5 -1.1648 -0.6725 -0.5457   -0.5457 -1.0652 -0.8211
H6 0.0000 -0.9676 1.8187   1.8187 0.1284 -0.9590
H7 0.8379 0.4838 1.8187   1.8187 0.7663 0.5907
H8 -0.8379 0.4838 1.8187   1.8187 -0.8947 0.3683
Atom - Atom Distances (Å)
  N1 B2 F3 F4 F5 H6 H7 H8
N1 1.6912 2.4298 2.4298 2.4298 1.0258 1.0258 1.0258
B2 1.6912 1.3854 1.3854 1.3854 2.2506 2.2506 2.2506
F3 2.4298 1.3854 2.3295 2.3295 3.3073 2.6522 2.6522
F4 2.4298 1.3854 2.3295 2.3295 2.6522 2.6522 3.3073
F5 2.4298 1.3854 2.3295 2.3295 2.6522 3.3073 2.6522
H6 1.0258 2.2506 3.3073 2.6522 2.6522 1.6759 1.6759
H7 1.0258 2.2506 2.6522 2.6522 3.3073 1.6759 1.6759
H8 1.0258 2.2506 2.6522 3.3073 2.6522 1.6759 1.6759
Maximum atom distance is 3.3073Å between atoms F3 and H6.
picture of Amminetrifluoroboron
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 B2 F3 103.885 N1 B2 F4 103.885
N1 B2 F5 103.885 F3 B2 F4 114.432
F3 B2 F5 114.432 F4 B2 F5 114.432
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B2 N1 H6 109.402 B2 N1 H7 109.402
B2 N1 H8 109.402 H6 N1 H7 109.540
H6 N1 H8 109.540 H7 N1 H8 109.540

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