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	hartrees
Energy at 0K	-2851.061569
Energy at 298.15K	-2851.066795
HF Energy	-2851.061569
Nuclear repulsion energy	325.172230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1694	1620	216.99
2	A'	1276	1220	263.81
3	A'	787	752	198.73
4	A'	744	711	0.28
5	A'	575	550	66.35
6	A'	388	371	1.28
7	A'	203	194	0.03
8	A"	706	674	11.54
9	A"	120	115	1.01

Atom	x (Å)	y (Å)
Br1	-1.175	-0.549
O2	0.000	0.941
N3	1.451	0.568
O4	2.130	1.583
O5	1.742	-0.617

	Br1	O2	N3	O4	O5
Br1		1.8976	2.8535	3.9335	2.9176
O2	1.8976		1.4976	2.2250	2.3367
N3	2.8535	1.4976		1.2215	1.2205
O4	3.9335	2.2250	1.2215		2.2343
O5	2.9176	2.3367	1.2205	2.2343

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	113.859		O2	N3	O4	109.408
O2	N3	O5	118.203		O4	N3	O5	132.388

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

using model chemistry: PBE1PBE/6-31G

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	0.341
2	O	-0.392
3	N	0.465
4	O	-0.196
5	O	-0.219

	x	y	z	Total
	-1.493	-1.231	0.000	1.935
CHELPG
AIM
ESP

	x	y	z
x	7.328	2.317	0.000
y	2.317	5.667	0.000
z	0.000	0.000	1.430

<r²>	191.774
(<r²>)^1/2	13.848

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

using model chemistry: PBE1PBE/6-31G

States and conformations

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