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	hartrees
Energy at 0K	-254.774200
Energy at 298.15K	-254.776671
HF Energy	-254.774200
Nuclear repulsion energy	76.597832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3391	3262	1.42
2	A'	1345	1293	51.33
3	A'	1037	998	28.27
4	A'	522	502	1.92
5	A"	1485	1429	21.87
6	A"	935	900	179.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.581	0.000
H2	-0.943	0.882	0.000
F3	0.038	-0.275	1.088
F4	0.038	-0.275	-1.088

	N1	H2	F3	F4
N1		1.0254	1.3840	1.3840
H2	1.0254		1.8659	1.8659
F3	1.3840	1.8659		2.1752
F4	1.3840	1.8659	2.1752

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	100.447		H2	N1	F4	100.447
F3	N1	F4	103.592

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

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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Number	Element	Mulliken
1	N	0.232
2	H	0.223
3	F	-0.228
4	F	-0.228

	x	y	z	Total
	-1.594	1.027	0.000	1.896
CHELPG
AIM
ESP

	x	y	z
x	2.027	-0.148	0.000
y	-0.148	2.307	0.000
z	0.000	0.000	2.900

<r²>	36.588
(<r²>)^1/2	6.049

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for NHF₂ (difluoramine)