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	hartrees
Energy at 0K	-304.977891
Energy at 298.15K	-304.980086
HF Energy	-304.977891
Nuclear repulsion energy	122.403099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1372	1321	194.70
2	A₁	843	812	219.38
3	A₁	569	548	63.64
4	B₁	747	720	12.84
5	B₂	1880	1811	470.72
6	B₂	554	534	4.25

Atom	y (Å)	z (Å)
N1	0.000	-0.198
F2	0.000	1.291
O3	1.094	-0.640
O4	-1.094	-0.640

	N1	F2	O3	O4
N1		1.4891	1.1803	1.1803
F2	1.4891		2.2197	2.2197
O3	1.1803	2.2197		2.1888
O4	1.1803	2.2197	2.1888

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	111.993		F2	N1	O4	111.993
O3	N1	O4	136.014

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

using model chemistry: TPSSh/6-311G*

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	0.549
2	F	-0.225
3	O	-0.162
4	O	-0.162

	x	y	z	Total
	0.000	0.000	-0.609	0.609
CHELPG
AIM
ESP

<r²>	54.145
(<r²>)^1/2	7.358

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

using model chemistry: TPSSh/6-311G*

States and conformations

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