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	hartrees
Energy at 0K	-304.668336
Energy at 298.15K	-304.670625
HF Energy	-304.668336
Nuclear repulsion energy	124.325510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1429	1370	202.70
2	A₁	883	846	248.88
3	A₁	625	599	55.62
4	B₁	791	758	16.08
5	B₂	1950	1869	535.17
6	B₂	601	576	4.36

Atom	y (Å)	z (Å)
N1	0.000	-0.182
F2	0.000	1.259
O3	1.084	-0.629
O4	-1.084	-0.629

	N1	F2	O3	O4
N1		1.4416	1.1720	1.1720
F2	1.4416		2.1768	2.1768
O3	1.1720	2.1768		2.1676
O4	1.1720	2.1768	2.1676

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.373		F2	N1	O4	112.373
O3	N1	O4	135.254

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

using model chemistry: PBE1PBE/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	0.554
2	F	-0.207
3	O	-0.173
4	O	-0.173

	x	y	z	Total
	0.000	0.000	-0.305	0.305
CHELPG
AIM
ESP

<r²>	52.806
(<r²>)^1/2	7.267

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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