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	hartrees
Energy at 0K	-304.615841
Energy at 298.15K	-304.618005
HF Energy	-304.615841
Nuclear repulsion energy	121.114300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1359	1340	175.72
2	A₁	832	821	185.28
3	A₁	570	562	31.23
4	B₁	721	712	10.33
5	B₂	1856	1830	351.12
6	B₂	534	527	3.75

Atom	y (Å)	z (Å)
N1	0.000	-0.193
F2	0.000	1.300
O3	1.108	-0.647
O4	-1.108	-0.647

	N1	F2	O3	O4
N1		1.4931	1.1976	1.1976
F2	1.4931		2.2401	2.2401
O3	1.1976	2.2401		2.2167
O4	1.1976	2.2401	2.2167

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.256		F2	N1	O4	112.256
O3	N1	O4	135.488

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

using model chemistry: PBEPBEultrafine/6-31G**

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	0.719
2	F	-0.215
3	O	-0.252
4	O	-0.252

	x	y	z	Total
	0.000	0.000	-0.336	0.336
CHELPG
AIM
ESP

<r²>	54.719
(<r²>)^1/2	7.397

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

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

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