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	hartrees
Energy at 0K	-254.841677
Energy at 298.15K	-254.844046
HF Energy	-254.841677
Nuclear repulsion energy	74.908842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3247	3247	3.80
2	A'	1337	1337	37.58
3	A'	941	941	35.25
4	A'	474	474	2.03
5	A"	1441	1441	13.49
6	A"	795	795	180.68

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.593	0.000
H2	-0.960	0.861	0.000
F3	0.038	-0.278	1.117
F4	0.038	-0.278	-1.117

	N1	H2	F3	F4
N1		1.0338	1.4165	1.4165
H2	1.0338		1.8820	1.8820
F3	1.4165	1.8820		2.2334
F4	1.4165	1.8820	2.2334

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	99.173		H2	N1	F4	99.173
F3	N1	F4	104.066

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B97D3/6-311G*

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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Number	Element	Mulliken
1	N	0.039
2	H	0.345
3	F	-0.192
4	F	-0.192

	x	y	z	Total
	-1.718	1.051	0.000	2.014
CHELPG
AIM
ESP

	x	y	z
x	1.293	-0.251	0.000
y	-0.251	1.527	0.000
z	0.000	0.000	2.322

<r²>	37.691
(<r²>)^1/2	6.139

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B97D3/6-311G*

States and conformations

All results from a given calculation for NHF₂ (difluoramine)