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	hartrees
Energy at 0K	-2854.454110
Energy at 298.15K	-2854.459378
HF Energy	-2854.454110
Nuclear repulsion energy	329.514566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1790	1731	319.22
2	A'	1340	1296	307.43
3	A'	827	799	218.63
4	A'	742	717	0.37
5	A'	556	538	85.64
6	A'	392	379	1.34
7	A'	204	197	0.03
8	A"	735	711	13.90
9	A"	122	118	0.62

Atom	x (Å)	y (Å)
Br1	-1.164	-0.551
O2	0.000	0.910
N3	1.443	0.569
O4	2.075	1.581
O5	1.753	-0.580

	Br1	O2	N3	O4	O5
Br1		1.8674	2.8375	3.8775	2.9164
O2	1.8674		1.4831	2.1813	2.3006
N3	2.8375	1.4831		1.1928	1.1906
O4	3.8775	2.1813	1.1928		2.1854
O5	2.9164	2.3006	1.1906	2.1854

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	115.270		O2	N3	O4	108.720
O2	N3	O5	118.323		O4	N3	O5	132.956

All results from a given calculation for BrONO₂ (Bromine nitrate)

using model chemistry: B3LYP/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	Br	0.245
2	O	-0.325
3	N	0.461
4	O	-0.186
5	O	-0.195

	x	y	z	Total
	-1.279	-1.098	0.000	1.685
CHELPG
AIM
ESP

	x	y	z
x	7.699	2.057	0.000
y	2.057	5.964	0.000
z	0.000	0.000	2.453

<r²>	187.970
(<r²>)^1/2	13.710

All results from a given calculation for BrONO2 (Bromine nitrate)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for BrONO₂ (Bromine nitrate)