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	hartrees
Energy at 0K	-300.712543
Energy at 298.15K	-300.714401
HF Energy	-300.712543
Nuclear repulsion energy	114.805806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1300	1300	82.66
2	A₁	937	937	31.10
3	A₁	521	521	2.41
4	B₁	550	550	1.59
5	B₂	1660	1660	40.39
6	B₂	470	470	1.46

Atom	y (Å)	z (Å)
N1	0.000	-0.150
F2	0.000	1.327
O3	1.193	-0.681
O4	-1.193	-0.681

	N1	F2	O3	O4
N1		1.4771	1.3053	1.3053
F2	1.4771		2.3351	2.3351
O3	1.3053	2.3351		2.3854
O4	1.3053	2.3351	2.3854

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	113.974		F2	N1	O4	113.974
O3	N1	O4	132.051

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

using model chemistry: TPSSh/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	0.152
2	F	0.003
3	O	-0.078
4	O	-0.078

	x	y	z	Total
	0.000	0.000	0.585	0.585
CHELPG
AIM
ESP

<r²>	57.648
(<r²>)^1/2	7.593

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

using model chemistry: TPSSh/STO-3G

States and conformations

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