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	hartrees
Energy at 0K	-304.638638
Energy at 298.15K	-304.640904
HF Energy	-304.638638
Nuclear repulsion energy	123.823114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1418	1363	186.55
2	A₁	852	819	243.78
3	A₁	610	587	67.00
4	B₁	783	753	12.32
5	B₂	1938	1863	528.51
6	B₂	582	560	3.54

Atom	y (Å)	z (Å)
N1	0.000	-0.186
F2	0.000	1.263
O3	1.089	-0.629
O4	-1.089	-0.629

	N1	F2	O3	O4
N1		1.4494	1.1762	1.1762
F2	1.4494		2.1840	2.1840
O3	1.1762	2.1840		2.1789
O4	1.1762	2.1840	2.1789

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.148		F2	N1	O4	112.148
O3	N1	O4	135.704

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

using model chemistry: PBE1PBE/aug-cc-pVDZ

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	1.236
2	F	-0.383
3	O	-0.426
4	O	-0.426

	x	y	z	Total
	0.000	0.000	-0.361	0.361
CHELPG
AIM
ESP

<r²>	53.269
(<r²>)^1/2	7.299

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

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

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