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	hartrees
Energy at 0K	-57.769983
Energy at 298.15K	-57.772501
HF Energy	-57.769983
Nuclear repulsion energy	44.675676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3639	3321	6.80
2	A'	1385	1264	61.22
3	A'	1087	992	42.19
4	A'	529	483	6.81
5	A"	1588	1449	5.10
6	A"	1099	1003	173.62

Atom	x (Å)	y (Å)	z (Å)
N1	0.036	0.588	0.000
H2	-0.910	0.949	0.000
F3	0.036	-0.281	1.101
F4	0.036	-0.281	-1.101

	N1	H2	F3	F4
N1		1.0131	1.4031	1.4031
H2	1.0131		1.9033	1.9033
F3	1.4031	1.9033		2.2028
F4	1.4031	1.9033	2.2028

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	102.751		H2	N1	F4	102.751
F3	N1	F4	103.439

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: HF/CEP-121G

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	0.181
2	H	0.321
3	F	-0.251
4	F	-0.251

	x	y	z	Total
	-2.061	1.669	0.000	2.652
CHELPG
AIM
ESP

	x	y	z
x	1.064	-0.289	0.000
y	-0.289	1.570	0.000
z	0.000	0.000	2.408

<r²>	31.646
(<r²>)^1/2	5.625

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for NHF₂ (difluoramine)