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	hartrees
Energy at 0K	-304.875086
Energy at 298.15K	-304.877223
HF Energy	-304.875086
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1336	1316	177.06
2	A₁	806	793	197.03
3	A₁	529	521	89.25
4	B₁	728	717	8.74
5	B₂	1857	1828	430.79
6	B₂	527	519	3.37

Atom	y (Å)	z (Å)
N1	0.000	-0.217
F2	0.000	1.317
O3	1.097	-0.646
O4	-1.097	-0.646

	N1	F2	O3	O4
N1		1.5338	1.1775	1.1775
F2	1.5338		2.2482	2.2482
O3	1.1775	2.2482		2.1932
O4	1.1775	2.2482	2.1932

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	111.359		F2	N1	O4	111.359
O3	N1	O4	137.282

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

using model chemistry: B97D3/aug-cc-pVTZ

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	1.000
2	F	-0.316
3	O	-0.342
4	O	-0.342

	x	y	z	Total
	0.000	0.000	-0.982	0.982
CHELPG
AIM
ESP

<r²>	55.091
(<r²>)^1/2	7.422

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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