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	hartrees
Energy at 0K	-300.624377
Energy at 298.15K	-300.626336
HF Energy	-300.624377
Nuclear repulsion energy	117.168209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1397	1397	86.57
2	A₁	1031	1031	18.85
3	A₁	552	552	7.59
4	B₁	586	586	4.47
5	B₂	1749	1749	70.20
6	B₂	498	498	1.02

Atom	y (Å)	z (Å)
N1	0.000	-0.138
F2	0.000	1.293
O3	1.172	-0.667
O4	-1.172	-0.667

	N1	F2	O3	O4
N1		1.4310	1.2864	1.2864
F2	1.4310		2.2846	2.2846
O3	1.2864	2.2846		2.3445
O4	1.2864	2.2846	2.3445

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	114.321		F2	N1	O4	114.321
O3	N1	O4	131.358

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

using model chemistry: M06-2X/STO-3G

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	0.206
2	F	-0.003
3	O	-0.102
4	O	-0.102

	x	y	z	Total
	0.000	0.000	0.765	0.765
CHELPG
AIM
ESP

<r²>	55.951
(<r²>)^1/2	7.480

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

using model chemistry: M06-2X/STO-3G

States and conformations

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