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Geometry for NHF2 (difluoramine) 1A' CS

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

TPSSh/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0381 0.5917 0.0000   0.0702 0.5875 0.0381
H2 -0.9532 0.8661 0.0000   0.1028 0.8600 -0.9532
F3 0.0381 -0.2782 1.1037   1.0629 -0.4072 0.0381
F4 0.0381 -0.2782 -1.1037   -1.1290 -0.1453 0.0381
Atom - Atom Distances (Å)
  N1 H2 F3 F4
N1 1.0286 1.4054 1.4054
H2 1.0286 1.8736 1.8736
F3 1.4054 1.8736 2.2075
F4 1.4054 1.8736 2.2075
Maximum atom distance is 2.2075Å 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 103.512
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 N1 F3 99.504 H2 N1 F4 99.504

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