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	hartrees
Energy at 0K	-304.462234
Energy at 298.15K	-304.464285
HF Energy	-304.257387
Nuclear repulsion energy	117.652808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1221	1221	169.08
2	A₁	784	784	173.85
3	A₁	539	539	33.36
4	B₁	656	656	7.93
5	B₂	1681	1681	234.03
6	B₂	486	486	3.91

Atom	y (Å)	z (Å)
N1	0.000	-0.208
F2	0.000	1.349
O3	1.135	-0.667
O4	-1.135	-0.667

	N1	F2	O3	O4
N1		1.5570	1.2247	1.2247
F2	1.5570		2.3138	2.3138
O3	1.2247	2.3138		2.2708
O4	1.2247	2.3138	2.2708

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.016		F2	N1	O4	112.016
O3	N1	O4	135.968

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

using model chemistry: B2PLYP/6-31G

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	0.518
2	F	-0.210
3	O	-0.154
4	O	-0.154

	x	y	z	Total
	0.000	0.000	-0.857	0.857
CHELPG
AIM
ESP

<r²>	57.941
(<r²>)^1/2	7.612

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

using model chemistry: B2PLYP/6-31G

States and conformations

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