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	hartrees
Energy at 0K	-2853.905967
Energy at 298.15K	-2853.911311
HF Energy	-2853.905967
Nuclear repulsion energy	333.969893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1824	1751	386.81
2	A'	1370	1315	314.16
3	A'	843	809	233.48
4	A'	773	742	3.99
5	A'	590	566	99.88
6	A'	408	392	1.47
7	A'	211	203	0.00
8	A"	754	724	11.65
9	A"	123	119	0.46

Atom	x (Å)	y (Å)
Br1	-1.149	-0.535
O2	0.000	0.896
N3	1.421	0.554
O4	2.064	1.550
O5	1.719	-0.592

	Br1	O2	N3	O4	O5
Br1		1.8353	2.7908	3.8301	2.8687
O2	1.8353		1.4611	2.1651	2.2738
N3	2.7908	1.4611		1.1856	1.1845
O4	3.8301	2.1651	1.1856		2.1696
O5	2.8687	2.2738	1.1845	2.1696

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	115.224		O2	N3	O4	109.337
O2	N3	O5	118.137		O4	N3	O5	132.526

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

using model chemistry: HSEh1PBE/TZVP

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	0.172
2	O	-0.192
3	N	0.242
4	O	-0.114
5	O	-0.108

	x	y	z	Total
	-1.464	-1.108	0.000	1.836
CHELPG
AIM
ESP

	x	y	z
x	7.950	1.991	0.000
y	1.991	6.320	0.000
z	0.000	0.000	2.823

<r²>	183.624
(<r²>)^1/2	13.551

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

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