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	hartrees
Energy at 0K	-304.879860
Energy at 298.15K	-304.882087
HF Energy	-304.879860
Nuclear repulsion energy	122.692350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1391	1336	188.45
2	A₁	867	833	215.25
3	A₁	606	582	28.12
4	B₁	754	724	14.79
5	B₂	1880	1806	428.30
6	B₂	566	544	3.47

Atom	y (Å)	z (Å)
N1	0.000	-0.182
F2	0.000	1.275
O3	1.098	-0.638
O4	-1.098	-0.638

	N1	F2	O3	O4
N1		1.4577	1.1888	1.1888
F2	1.4577		2.2059	2.2059
O3	1.1888	2.2059		2.1961
O4	1.1888	2.2059	2.1961

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.532		F2	N1	O4	112.532
O3	N1	O4	134.936

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

using model chemistry: B3LYP/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	0.794
2	F	-0.228
3	O	-0.283
4	O	-0.283

	x	y	z	Total
	0.000	0.000	-0.135	0.135
CHELPG
AIM
ESP

<r²>	53.653
(<r²>)^1/2	7.325

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

using model chemistry: B3LYP/6-31G*

States and conformations

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