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	hartrees
Energy at 0K	-302.907086
Energy at 298.15K	-302.909151
HF Energy	-302.907086
Nuclear repulsion energy	116.993744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1144	1134	172.41
2	A₁	824	817	86.96
3	A₁	566	561	0.75
4	B₁	653	647	7.64
5	B₂	1486	1473	165.33
6	B₂	477	473	2.65

Atom	y (Å)	z (Å)
N1	0.000	-0.193
F2	0.000	1.340
O3	1.150	-0.669
O4	-1.150	-0.669

	N1	F2	O3	O4
N1		1.5334	1.2447	1.2447
F2	1.5334		2.3155	2.3155
O3	1.2447	2.3155		2.2998
O4	1.2447	2.3155	2.2998

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.503		F2	N1	O4	112.503
O3	N1	O4	134.994

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

using model chemistry: PBEPBEultrafine/3-21G

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	0.526
2	F	-0.127
3	O	-0.199
4	O	-0.199

	x	y	z	Total
	0.000	0.000	-0.307	0.307
CHELPG
AIM
ESP

<r²>	57.662
(<r²>)^1/2	7.594

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

using model chemistry: PBEPBEultrafine/3-21G

States and conformations

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