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	hartrees
Energy at 0K	-379.965386
Energy at 298.15K	-379.968160
Nuclear repulsion energy	185.123029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1892	1813	426.85
2	A'	1399	1340	213.69
3	A'	1041	997	40.11
4	A'	838	803	160.27
5	A'	692	663	2.00
6	A'	500	480	22.68
7	A'	316	303	1.85
8	A"	753	722	10.78
9	A"	171	164	0.18

Atom	x (Å)	y (Å)
N1	0.000	0.608
O2	-0.684	-0.698
O3	1.181	0.599
O4	-0.829	1.459
F5	0.296	-1.681

	N1	O2	O3	O4	F5
N1		1.4741	1.1807	1.1883	2.3074
O2	1.4741		2.2715	2.1618	1.3874
O3	1.1807	2.2715		2.1860	2.4456
O4	1.1883	2.1618	2.1860		3.3349
F5	2.3074	1.3874	2.4456	3.3349

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	F5	107.440		O2	N1	O3	117.233
O2	N1	O4	108.097		O3	N1	O4	134.670

All results from a given calculation for FNO₃ (Fluorine nitrate)

using model chemistry: mPW1PW91/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	1.205
2	O	-0.063
3	O	-0.402
4	O	-0.475
5	F	-0.266

	x	y	z	Total
	-0.076	-0.118	0.000	0.140
CHELPG
AIM
ESP

	x	y	z
x	4.680	-0.498	0.000
y	-0.498	5.486	0.000
z	0.000	0.000	2.431

<r²>	89.682
(<r²>)^1/2	9.470

All results from a given calculation for FNO3 (Fluorine nitrate)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for FNO₃ (Fluorine nitrate)