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	hartrees
Energy at 0K	-305.013166
Energy at 298.15K	-305.015373
HF Energy	-305.013166
Nuclear repulsion energy	122.625604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1358	1314	186.72
2	A₁	837	810	225.27
3	A₁	574	555	65.92
4	B₁	755	731	11.68
5	B₂	1865	1805	475.10
6	B₂	554	537	3.82

Atom	y (Å)	z (Å)
N1	0.000	-0.198
F2	0.000	1.287
O3	1.094	-0.637
O4	-1.094	-0.637

	N1	F2	O3	O4
N1		1.4857	1.1787	1.1787
F2	1.4857		2.2138	2.2138
O3	1.1787	2.2138		2.1877
O4	1.1787	2.2138	2.1877

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	111.871		F2	N1	O4	111.871
O3	N1	O4	136.258

All results from a given calculation for FNO₂ (Nitryl fluoride)

using model chemistry: TPSSh/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	0.499
2	F	-0.201
3	O	-0.149
4	O	-0.149

	x	y	z	Total
	0.000	0.000	-0.567	0.567
CHELPG
AIM
ESP

<r²>	53.934
(<r²>)^1/2	7.344

All results from a given calculation for FNO2 (Nitryl fluoride)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for FNO₂ (Nitryl fluoride)