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	hartrees
Energy at 0K	-254.766236
Energy at 298.15K	-254.768611
HF Energy	-254.766236
Nuclear repulsion energy	74.822600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3195	0.01
2	A'	1295	1287	43.01
3	A'	948	942	27.28
4	A'	473	470	1.24
5	A"	1397	1388	24.04
6	A"	807	801	188.19

Atom	x (Å)	y (Å)	z (Å)
N1	0.039	0.597	0.000
H2	-0.967	0.862	0.000
F3	0.039	-0.280	1.115
F4	0.039	-0.280	-1.115

	N1	H2	F3	F4
N1		1.0396	1.4189	1.4189
H2	1.0396		1.8864	1.8864
F3	1.4189	1.8864		2.2303
F4	1.4189	1.8864	2.2303

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	99.061		H2	N1	F4	99.061
F3	N1	F4	103.615

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: PBEPBE/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	0.219
3	F	-0.213
4	F	-0.213

	x	y	z	Total
	-1.564	0.998	0.000	1.855
CHELPG
AIM
ESP

	x	y	z
x	2.207	-0.153	0.000
y	-0.153	2.488	0.000
z	0.000	0.000	3.211

<r²>	38.018
(<r²>)^1/2	6.166

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for NHF₂ (difluoramine)