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	hartrees
Energy at 0K	-2851.318378
Energy at 298.15K	-2851.323515
HF Energy	-2851.318378
Nuclear repulsion energy	327.299517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1760	1740	276.47
2	A'	1300	1285	274.72
3	A'	768	759	153.11
4	A'	700	692	2.28
5	A'	479	474	60.82
6	A'	366	362	9.06
7	A'	184	182	0.12
8	A"	681	673	6.53
9	A"	156	155	0.44

Atom	x (Å)	y (Å)
Br1	-1.182	-0.514
O2	0.000	0.915
N3	1.475	0.519
O4	2.134	1.535
O5	1.744	-0.657

	Br1	O2	N3	O4	O5
Br1		1.8542	2.8505	3.8977	2.9293
O2	1.8542		1.5273	2.2225	2.3483
N3	2.8505	1.5273		1.2105	1.2069
O4	3.8977	2.2225	1.2105		2.2261
O5	2.9293	2.3483	1.2069	2.2261

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	114.566		O2	N3	O4	107.983
O2	N3	O5	117.905		O4	N3	O5	134.112

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

using model chemistry: PBEPBEultrafine/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	0.177
2	O	-0.047
3	N	-0.137
4	O	-0.008
5	O	0.015

	x	y	z	Total
	-1.054	-0.934	0.000	1.408
CHELPG
AIM
ESP

	x	y	z
x	9.841	1.962	0.000
y	1.962	7.154	0.000
z	0.000	0.000	4.053

<r²>	189.996
(<r²>)^1/2	13.784

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

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

States and conformations

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