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Geometry for NHF2 (difluoramine) 1A' CS

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

B3LYP/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0379 0.5899 0.0000   0.0701 0.5857 0.0379
H2 -0.9472 0.8786 0.0000   0.1044 0.8724 -0.9472
F3 0.0379 -0.2782 1.1004   1.0595 -0.4070 0.0379
F4 0.0379 -0.2782 -1.1004   -1.1257 -0.1455 0.0379
Atom - Atom Distances (Å)
  N1 H2 F3 F4
N1 1.0265 1.4016 1.4016
H2 1.0265 1.8760 1.8760
F3 1.4016 1.8760 2.2008
F4 1.4016 1.8760 2.2008
Maximum atom distance is 2.2008Å 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 103.457
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 N1 F3 100.032 H2 N1 F4 100.032

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