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	hartrees
Energy at 0K	-253.380732
Energy at 298.15K	-253.383023
HF Energy	-253.380732
Nuclear repulsion energy	71.373357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3012	2961	13.63
2	A'	1223	1202	40.19
3	A'	908	892	14.45
4	A'	393	386	3.61
5	A"	1304	1282	22.95
6	A"	849	835	90.81

Atom	x (Å)	y (Å)	z (Å)
N1	0.040	0.629	0.000
H2	-0.995	0.847	0.000
F3	0.040	-0.292	1.174
F4	0.040	-0.292	-1.174

	N1	H2	F3	F4
N1		1.0577	1.4917	1.4917
H2	1.0577		1.9354	1.9354
F3	1.4917	1.9354		2.3484
F4	1.4917	1.9354	2.3484

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	97.314		H2	N1	F4	97.314
F3	N1	F4	103.835

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B97D3/3-21G

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	0.015
2	H	0.342
3	F	-0.178
4	F	-0.178

	x	y	z	Total
	-1.849	1.015	0.000	2.109
CHELPG
AIM
ESP

	x	y	z
x	1.069	-0.304	0.000
y	-0.304	1.257	0.000
z	0.000	0.000	2.282

<r²>	40.243
(<r²>)^1/2	6.344

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B97D3/3-21G

States and conformations

All results from a given calculation for NHF₂ (difluoramine)