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	hartrees
Energy at 0K	-305.009228
Energy at 298.15K	-305.011461
HF Energy	-305.009228
Nuclear repulsion energy	123.098012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1368	1323	187.75
2	A₁	848	819	232.95
3	A₁	587	568	66.92
4	B₁	767	741	13.75
5	B₂	1867	1804	505.66
6	B₂	568	549	3.54

Atom	y (Å)	z (Å)
N1	0.000	-0.195
F2	0.000	1.281
O3	1.090	-0.635
O4	-1.090	-0.635

	N1	F2	O3	O4
N1		1.4763	1.1755	1.1755
F2	1.4763		2.2047	2.2047
O3	1.1755	2.2047		2.1802
O4	1.1755	2.2047	2.1802

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	111.981		F2	N1	O4	111.981
O3	N1	O4	136.037

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

using model chemistry: B3LYPultrafine/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	0.483
2	F	-0.198
3	O	-0.143
4	O	-0.143

	x	y	z	Total
	0.000	0.000	-0.487	0.487
CHELPG
AIM
ESP

<r²>	53.707
(<r²>)^1/2	7.329

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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