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	hartrees
Energy at 0K	-304.824945
Energy at 298.15K	-304.827270
HF Energy	-304.824945
Nuclear repulsion energy	124.615343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1426	1426	194.59
2	A₁	890	890	261.65
3	A₁	657	657	34.31
4	B₁	802	802	15.44
5	B₂	1918	1918	602.60
6	B₂	612	612	2.50

Atom	y (Å)	z (Å)
N1	0.000	-0.175
F2	0.000	1.246
O3	1.087	-0.625
O4	-1.087	-0.625

	N1	F2	O3	O4
N1		1.4207	1.1769	1.1769
F2	1.4207		2.1638	2.1638
O3	1.1769	2.1638		2.1748
O4	1.1769	2.1638	2.1748

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.481		F2	N1	O4	112.481
O3	N1	O4	135.037

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

using model chemistry: M06-2X/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	1.096
2	F	-0.364
3	O	-0.366
4	O	-0.366

	x	y	z	Total
	0.000	0.000	-0.100	0.100
CHELPG
AIM
ESP

<r²>	52.737
(<r²>)^1/2	7.262

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

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