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	hartrees
Energy at 0K	-304.677506
Energy at 298.15K	-304.679630
HF Energy	-304.677506
Nuclear repulsion energy	120.678032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1342	1334	175.46
2	A₁	795	790	199.36
3	A₁	536	532	73.11
4	B₁	714	709	7.86
5	B₂	1860	1849	406.73
6	B₂	514	511	3.62

Atom	y (Å)	z (Å)
N1	0.000	-0.212
F2	0.000	1.317
O3	1.107	-0.648
O4	-1.107	-0.648

	N1	F2	O3	O4
N1		1.5288	1.1902	1.1902
F2	1.5288		2.2555	2.2555
O3	1.1902	2.2555		2.2149
O4	1.1902	2.2555	2.2149

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	111.495		F2	N1	O4	111.495
O3	N1	O4	137.010

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	1.061
2	F	-0.352
3	O	-0.355
4	O	-0.355

	x	y	z	Total
	0.000	0.000	-0.886	0.886
CHELPG
AIM
ESP

<r²>	55.667
(<r²>)^1/2	7.461

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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