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	hartrees
Energy at 0K	-304.643673
Energy at 298.15K	-304.645831
HF Energy	-304.643673
Nuclear repulsion energy	121.027187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1362	1354	177.80
2	A₁	826	821	182.66
3	A₁	554	550	43.71
4	B₁	724	719	11.09
5	B₂	1871	1860	365.32
6	B₂	530	527	4.05

Atom	y (Å)	z (Å)
N1	0.000	-0.203
F2	0.000	1.309
O3	1.105	-0.648
O4	-1.105	-0.648

	N1	F2	O3	O4
N1		1.5118	1.1915	1.1915
F2	1.5118		2.2471	2.2471
O3	1.1915	2.2471		2.2107
O4	1.1915	2.2471	2.2107

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	111.913		F2	N1	O4	111.913
O3	N1	O4	136.174

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

using model chemistry: PBEPBEultrafine/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	0.396
2	F	-0.185
3	O	-0.105
4	O	-0.105

	x	y	z	Total
	0.000	0.000	-0.633	0.633
CHELPG
AIM
ESP

<r²>	54.902
(<r²>)^1/2	7.410

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

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