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	hartrees
Energy at 0K	-2851.345384
Energy at 298.15K	-2851.350810
HF Energy	-2851.345384
Nuclear repulsion energy	334.811578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1845	1763	362.70
2	A'	1387	1325	305.38
3	A'	838	801	245.78
4	A'	783	748	2.92
5	A'	628	599	63.27
6	A'	413	395	0.56
7	A'	212	203	0.11
8	A"	764	730	10.95
9	A"	158	151	0.21

Atom	x (Å)	y (Å)
Br1	-1.139	-0.543
O2	0.000	0.890
N3	1.402	0.565
O4	2.040	1.576
O5	1.715	-0.586

	Br1	O2	N3	O4	O5
Br1		1.8305	2.7717	3.8205	2.8546
O2	1.8305		1.4388	2.1524	2.2633
N3	2.7717	1.4388		1.1954	1.1936
O4	3.8205	2.1524	1.1954		2.1864
O5	2.8546	2.2633	1.1936	2.1864

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	115.423		O2	N3	O4	109.246
O2	N3	O5	118.292		O4	N3	O5	132.462

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

using model chemistry: PBE1PBE/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	0.206
2	O	-0.050
3	N	-0.039
4	O	-0.072
5	O	-0.044

	x	y	z	Total
	-1.579	-1.040	0.000	1.891
CHELPG
AIM
ESP

	x	y	z
x	8.442	1.831	0.000
y	1.831	6.847	0.000
z	0.000	0.000	3.815

<r²>	182.576
(<r²>)^1/2	13.512

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

using model chemistry: PBE1PBE/6-31+G**

States and conformations

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