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Geometry for NHF2 (difluoramine) 1A' CS

1910171554
InChI=1S/F2HN/c1-3-2/h3H INChIKey=ULFHSQLFQYTZLS-UHFFFAOYSA-N

CCSD(T)/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0379 0.5872 0.0000   0.0693 0.5831 0.0379
H2 -0.9479 0.8786 0.0000   0.1037 0.8725 -0.9479
F3 0.0379 -0.2772 1.0892   1.0488 -0.4038 0.0379
F4 0.0379 -0.2772 -1.0892   -1.1143 -0.1466 0.0379
Atom - Atom Distances (Å)
  N1 H2 F3 F4
N1 1.0280 1.3905 1.3905
H2 1.0280 1.8692 1.8692
F3 1.3905 1.8692 2.1784
F4 1.3905 1.8692 2.1784
Maximum atom distance is 2.1784Å between atoms F3 and F4.
picture of difluoramine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 N1 F4 103.131
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 N1 F3 100.150 H2 N1 F4 100.150

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