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Geometry for NHF2 (difluoramine) 1A' CS

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

B3LYP/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0388 0.6202 0.0000   0.0744 0.6157 0.0388
H2 -0.9707 0.9045 0.0000   0.1086 0.8980 -0.9707
F3 0.0388 -0.2914 1.1518   1.1085 -0.4276 0.0388
F4 0.0388 -0.2914 -1.1518   -1.1785 -0.1511 0.0388
Atom - Atom Distances (Å)
  N1 H2 F3 F4
N1 1.0488 1.4689 1.4689
H2 1.0488 1.9433 1.9433
F3 1.4689 1.9433 2.3036
F4 1.4689 1.9433 2.3036
Maximum atom distance is 2.3036Å 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 103.278
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 N1 F3 99.685 H2 N1 F4 99.685

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