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	hartrees
Energy at 0K	-254.895941
Energy at 298.15K	-254.898372
HF Energy	-254.895941
Nuclear repulsion energy	75.864245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3320	3204	0.84
2	A'	1339	1292	45.86
3	A'	1010	974	22.37
4	A'	495	478	1.77
5	A"	1455	1404	20.33
6	A"	900	868	140.94

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.589	0.000
H2	-0.953	0.873	0.000
F3	0.038	-0.278	1.098
F4	0.038	-0.278	-1.098

	N1	H2	F3	F4
N1		1.0309	1.3988	1.3988
H2	1.0309		1.8740	1.8740
F3	1.3988	1.8740		2.1958
F4	1.3988	1.8740	2.1958

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	99.831		H2	N1	F4	99.831
F3	N1	F4	103.418

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	0.044
2	H	0.303
3	F	-0.173
4	F	-0.173

	x	y	z	Total
	-1.548	0.893	0.000	1.787
CHELPG
AIM
ESP

	x	y	z
x	1.684	-0.230	0.000
y	-0.230	1.834	0.000
z	0.000	0.000	2.488

<r²>	36.639
(<r²>)^1/2	6.053

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for NHF₂ (difluoramine)