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Geometry for NHF2 (difluoramine) 1A' CS

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

B2PLYP=FULLultrafine/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0382 0.5947 0.0000   0.0713 0.5905 0.0382
H2 -0.9545 0.8717 0.0000   0.1045 0.8655 -0.9545
F3 0.0382 -0.2797 1.1034   1.0619 -0.4100 0.0382
F4 0.0382 -0.2797 -1.1034   -1.1290 -0.1454 0.0382
Atom - Atom Distances (Å)
  N1 H2 F3 F4
N1 1.0306 1.4079 1.4079
H2 1.0306 1.8785 1.8785
F3 1.4079 1.8785 2.2068
F4 1.4079 1.8785 2.2068
Maximum atom distance is 2.2068Å 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 103.204
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 N1 F3 99.610 H2 N1 F4 99.610

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