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	hartrees
Energy at 0K	-304.604670
Energy at 298.15K	-304.606983
HF Energy	-304.604670
Nuclear repulsion energy	124.729292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1426	1365	176.44
2	A₁	894	856	219.66
3	A₁	647	619	27.16
4	B₁	806	771	13.41
5	B₂	1934	1851	462.69
6	B₂	607	581	3.37

Atom	y (Å)	z (Å)
N1	0.000	-0.172
F2	0.000	1.245
O3	1.086	-0.625
O4	-1.086	-0.625

	N1	F2	O3	O4
N1		1.4175	1.1765	1.1765
F2	1.4175		2.1624	2.1624
O3	1.1765	2.1624		2.1719
O4	1.1765	2.1624	2.1719

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.620		F2	N1	O4	112.620
O3	N1	O4	134.761

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

using model chemistry: PBE1PBE/6-31G(2df,p)

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	0.856
2	F	-0.200
3	O	-0.328
4	O	-0.328

	x	y	z	Total
	0.000	0.000	0.045	0.045
CHELPG
AIM
ESP

<r²>	52.149
(<r²>)^1/2	7.221

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

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

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