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	hartrees
Energy at 0K	-254.861046
Energy at 298.15K	-254.863483
HF Energy	-254.621863
Nuclear repulsion energy	75.849875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3396	3263	2.74
2	A'	1341	1288	49.41
3	A'	992	953	27.67
4	A'	503	483	1.78
5	A"	1471	1414	23.12
6	A"	889	854	171.56

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.590	0.000
H2	-0.946	0.875	0.000
F3	0.038	-0.278	1.098
F4	0.038	-0.278	-1.098

	N1	H2	F3	F4
N1		1.0242	1.3999	1.3999
H2	1.0242		1.8716	1.8716
F3	1.3999	1.8716		2.1965
F4	1.3999	1.8716	2.1965

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	99.922		H2	N1	F4	99.922
F3	N1	F4	103.352

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B2PLYP/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	0.208
2	H	0.250
3	F	-0.229
4	F	-0.229

	x	y	z	Total
	-1.614	1.087	0.000	1.946
CHELPG
AIM
ESP

	x	y	z
x	2.038	-0.146	0.000
y	-0.146	2.356	0.000
z	0.000	0.000	3.000

<r²>	37.196
(<r²>)^1/2	6.099

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B2PLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for NHF₂ (difluoramine)