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	hartrees
Energy at 0K	-302.907073
Energy at 298.15K	-302.909138
HF Energy	-302.907073
Nuclear repulsion energy	116.997261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1144	1133	172.82
2	A₁	824	816	86.62
3	A₁	567	562	0.72
4	B₁	652	646	7.64
5	B₂	1485	1472	165.26
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		1.5332	1.2447	1.2447
F2	1.5332		2.3151	2.3151
O3	1.2447	2.3151		2.3003
O4	1.2447	2.3151	2.3003

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.481		F2	N1	O4	112.481
O3	N1	O4	135.038

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

using model chemistry: PBEPBE/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	-0.308	0.308
CHELPG
AIM
ESP

<r²>	57.656
(<r²>)^1/2	7.593

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

using model chemistry: PBEPBE/3-21G

States and conformations

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