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	hartrees
Energy at 0K	-304.973967
Energy at 298.15K	-304.976190
HF Energy	-304.973967
Nuclear repulsion energy	122.915277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1381	1334	195.72
2	A₁	855	826	228.69
3	A₁	585	565	62.23
4	B₁	759	733	15.13
5	B₂	1882	1818	494.36
6	B₂	569	550	3.95

Atom	y (Å)	z (Å)
N1	0.000	-0.194
F2	0.000	1.283
O3	1.091	-0.637
O4	-1.091	-0.637

	N1	F2	O3	O4
N1		1.4768	1.1778	1.1778
F2	1.4768		2.2086	2.2086
O3	1.1778	2.2086		2.1824
O4	1.1778	2.2086	2.1824

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.113		F2	N1	O4	112.113
O3	N1	O4	135.773

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

using model chemistry: B3LYPultrafine/6-311G*

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	0.523
2	F	-0.219
3	O	-0.152
4	O	-0.152

	x	y	z	Total
	0.000	0.000	-0.506	0.506
CHELPG
AIM
ESP

<r²>	53.845
(<r²>)^1/2	7.338

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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