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	hartrees
Energy at 0K	-2847.817208
Energy at 298.15K	-2847.822528
HF Energy	-2847.817208
Nuclear repulsion energy	334.534750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1827	1800	277.81
2	A'	1349	1328	261.62
3	A'	795	783	165.41
4	A'	736	725	3.48
5	A'	556	548	56.86
6	A'	400	394	2.22
7	A'	199	196	0.20
8	A"	721	710	7.88
9	A"	172	169	0.29

Atom	x (Å)	y (Å)
Br1	-1.144	-0.518
O2	0.000	0.902
N3	1.418	0.531
O4	2.076	1.536
O5	1.689	-0.636

	Br1	O2	N3	O4	O5
Br1		1.8241	2.7683	3.8192	2.8355
O2	1.8241		1.4655	2.1703	2.2844
N3	2.7683	1.4655		1.2009	1.1979
O4	3.8192	2.1703	1.2009		2.2054
O5	2.8355	2.2844	1.1979	2.2054

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	114.165		O2	N3	O4	108.555
O2	N3	O5	117.771		O4	N3	O5	133.673

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

using model chemistry: LSDA/6-31+G**

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	0.186
2	O	-0.034
3	N	-0.100
4	O	-0.037
5	O	-0.015

	x	y	z	Total
	-1.364	-0.982	0.000	1.680
CHELPG
AIM
ESP

	x	y	z
x	9.279	1.919	0.000
y	1.919	6.974	0.000
z	0.000	0.000	3.961

<r²>	182.220
(<r²>)^1/2	13.499

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

using model chemistry: LSDA/6-31+G**

States and conformations

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