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Geometry for NH3BF3 (Amminetrifluoroboron) 1A1 C3V

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

HSEh1PBE/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 1.4673   1.4673 0.0000 0.0000
B2 0.0000 0.0000 -0.2077   -0.2077 0.0000 0.0000
F3 0.0000 1.3424 -0.5426   -0.5426 0.0900 1.3393
F4 1.1625 -0.6712 -0.5426   -0.5426 1.1149 -0.7476
F5 -1.1625 -0.6712 -0.5426   -0.5426 -1.2049 -0.5917
H6 0.0000 -0.9688 1.8058   1.8058 -0.0649 -0.9666
H7 0.8390 0.4844 1.8058   1.8058 0.8696 0.4271
H8 -0.8390 0.4844 1.8058   1.8058 -0.8046 0.5395
Atom - Atom Distances (Å)
  N1 B2 F3 F4 F5 H6 H7 H8
N1 1.6750 2.4170 2.4170 2.4170 1.0262 1.0262 1.0262
B2 1.6750 1.3835 1.3835 1.3835 2.2344 2.2344 2.2344
F3 2.4170 1.3835 2.3250 2.3250 3.2949 2.6373 2.6373
F4 2.4170 1.3835 2.3250 2.3250 2.6373 2.6373 3.2949
F5 2.4170 1.3835 2.3250 2.3250 2.6373 3.2949 2.6373
H6 1.0262 2.2344 3.2949 2.6373 2.6373 1.6780 1.6780
H7 1.0262 2.2344 2.6373 2.6373 3.2949 1.6780 1.6780
H8 1.0262 2.2344 2.6373 3.2949 2.6373 1.6780 1.6780
Maximum atom distance is 3.2949Å 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 104.011 N1 B2 F4 104.011
N1 B2 F5 104.011 F3 B2 F4 114.335
F3 B2 F5 114.335 F4 B2 F5 114.335
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B2 N1 H6 109.261 B2 N1 H7 109.261
B2 N1 H8 109.261 H6 N1 H7 109.681
H6 N1 H8 109.681 H7 N1 H8 109.681

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