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	hartrees
Energy at 0K	-254.883876
Energy at 298.15K	-254.886306
HF Energy	-254.883876
Nuclear repulsion energy	75.557424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3343	3212	1.11
2	A'	1322	1270	45.97
3	A'	1013	974	25.49
4	A'	492	473	2.37
5	A"	1444	1388	18.76
6	A"	917	881	146.32

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.590	0.000
H2	-0.953	0.873	0.000
F3	0.038	-0.278	1.104
F4	0.038	-0.278	-1.104

	N1	H2	F3	F4
N1		1.0310	1.4043	1.4043
H2	1.0310		1.8779	1.8779
F3	1.4043	1.8779		2.2082
F4	1.4043	1.8779	2.2082

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	99.774		H2	N1	F4	99.774
F3	N1	F4	103.676

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B3LYP/6-31G**

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	0.187
2	H	0.299
3	F	-0.243
4	F	-0.243

	x	y	z	Total
	-1.656	0.954	0.000	1.911
CHELPG
AIM
ESP

	x	y	z
x	1.419	-0.261	0.000
y	-0.261	1.564	0.000
z	0.000	0.000	2.256

<r²>	36.944
(<r²>)^1/2	6.078

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for NHF₂ (difluoramine)