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	hartrees
Energy at 0K	-254.733529
Energy at 298.15K	-254.736001
HF Energy	-254.733529
Nuclear repulsion energy	76.650388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3419	3281	0.13
2	A'	1376	1321	46.81
3	A'	1044	1002	35.53
4	A'	524	503	3.11
5	A"	1515	1454	13.07
6	A"	943	905	172.58

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.579	0.000
H2	-0.941	0.881	0.000
F3	0.038	-0.274	1.088
F4	0.038	-0.274	-1.088

	N1	H2	F3	F4
N1		1.0238	1.3827	1.3827
H2	1.0238		1.8642	1.8642
F3	1.3827	1.8642		2.1759
F4	1.3827	1.8642	2.1759

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	100.486		H2	N1	F4	100.486
F3	N1	F4	103.787

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: HSEh1PBE/6-311G*

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	0.035
2	H	0.359
3	F	-0.197
4	F	-0.197

	x	y	z	Total
	-1.744	1.058	0.000	2.040
CHELPG
AIM
ESP

	x	y	z
x	1.228	-0.251	0.000
y	-0.251	1.459	0.000
z	0.000	0.000	2.128

<r²>	36.411
(<r²>)^1/2	6.034

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for NHF₂ (difluoramine)