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Geometry for NF3 (Nitrogen trifluoride) 1A1 C3V

1910171554
InChI=1S/F3N/c1-4(2)3 INChIKey=GVGCUCJTUSOZKP-UHFFFAOYSA-N

B2PLYP/6-31G(2df,p)


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.4807   0.0000 0.0000 0.4807
F2 0.0000 1.2278 -0.1246   -0.6810 1.0216 -0.1246
F3 1.0633 -0.6139 -0.1246   1.2252 0.0790 -0.1246
F4 -1.0633 -0.6139 -0.1246   -0.5442 -1.1006 -0.1246
Atom - Atom Distances (Å)
  N1 F2 F3 F4
N1 1.3689 1.3689 1.3689
F2 1.3689 2.1265 2.1265
F3 1.3689 2.1265 2.1265
F4 1.3689 2.1265 2.1265
Maximum atom distance is 2.1265Å between atoms F3 and F4.
picture of Nitrogen trifluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 N1 F3 101.927 F2 N1 F4 101.927
F3 N1 F4 101.927

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