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	hartrees
Energy at 0K	-2850.401421
Energy at 298.15K	-2850.406723
HF Energy	-2850.401421
Nuclear repulsion energy	336.625860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1811	1794	291.83
2	A'	1338	1326	253.07
3	A'	803	795	152.86
4	A'	743	736	5.25
5	A'	537	532	74.69
6	A'	404	401	4.81
7	A'	206	204	0.16
8	A"	728	721	7.94
9	A"	145	143	0.18

Atom	x (Å)	y (Å)
Br1	-1.144	-0.494
O2	0.000	0.905
N3	1.424	0.501
O4	2.101	1.478
O5	1.660	-0.661

	Br1	O2	N3	O4	O5
Br1		1.8075	2.7545	3.7976	2.8093
O2	1.8075		1.4805	2.1777	2.2824
N3	2.7545	1.4805		1.1888	1.1860
O4	3.7976	2.1777	1.1888		2.1847
O5	2.8093	2.2824	1.1860	2.1847

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	113.438		O2	N3	O4	108.855
O2	N3	O5	117.305		O4	N3	O5	133.840

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

using model chemistry: LSDA/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	0.326
2	O	-0.500
3	N	1.079
4	O	-0.458
5	O	-0.446

	x	y	z	Total
	-1.161	-0.857	0.000	1.443
CHELPG
AIM
ESP

	x	y	z
x	9.976	1.731	0.000
y	1.731	7.449	0.000
z	0.000	0.000	4.864

<r²>	180.107
(<r²>)^1/2	13.420

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

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

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