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	hartrees
Energy at 0K	-2854.579568
Energy at 298.15K	-2854.584842
HF Energy	-2854.579568
Nuclear repulsion energy	332.158607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1755	1698	353.81
2	A'	1323	1280	284.98
3	A'	815	788	192.67
4	A'	752	728	7.66
5	A'	549	531	100.88
6	A'	398	385	3.45
7	A'	207	200	0.04
8	A"	738	714	9.80
9	A"	120	116	0.22

Atom	x (Å)	y (Å)
Br1	-1.161	-0.521
O2	0.000	0.901
N3	1.441	0.535
O4	2.097	1.530
O5	1.722	-0.620

	Br1	O2	N3	O4	O5
Br1		1.8360	2.8088	3.8501	2.8855
O2	1.8360		1.4869	2.1894	2.2978
N3	2.8088	1.4869		1.1911	1.1890
O4	3.8501	2.1894	1.1911		2.1819
O5	2.8855	2.2978	1.1890	2.1819

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	115.005		O2	N3	O4	109.179
O2	N3	O5	117.913		O4	N3	O5	132.908

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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	0.316
2	O	-0.483
3	N	1.040
4	O	-0.440
5	O	-0.432

	x	y	z	Total
	-1.292	-0.930	0.000	1.592
CHELPG
AIM
ESP

	x	y	z
x	9.655	1.738	0.000
y	1.738	7.501	0.000
z	0.000	0.000	4.792

<r²>	185.476
(<r²>)^1/2	13.619

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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