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	hartrees
Energy at 0K	-304.707780
Energy at 298.15K	-304.709930
HF Energy	-304.707780
Nuclear repulsion energy	121.195860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1351	1337	182.80
2	A₁	823	815	192.07
3	A₁	548	542	59.02
4	B₁	724	716	10.41
5	B₂	1862	1843	403.72
6	B₂	533	528	4.14

Atom	y (Å)	z (Å)
N1	0.000	-0.206
F2	0.000	1.311
O3	1.102	-0.647
O4	-1.102	-0.647

	N1	F2	O3	O4
N1		1.5174	1.1867	1.1867
F2	1.5174		2.2469	2.2469
O3	1.1867	2.2469		2.2037
O4	1.1867	2.2469	2.2037

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	111.802		F2	N1	O4	111.802
O3	N1	O4	136.395

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

using model chemistry: PBEPBEultrafine/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	0.460
2	F	-0.215
3	O	-0.123
4	O	-0.123

	x	y	z	Total
	0.000	0.000	-0.749	0.749
CHELPG
AIM
ESP

<r²>	55.039
(<r²>)^1/2	7.419

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

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

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