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	hartrees
Energy at 0K	-2853.726401
Energy at 298.15K	-2853.731629
HF Energy	-2853.422686
Nuclear repulsion energy	329.144481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1812	1736	242.73
2	A'	1324	1268	280.89
3	A'	802	768	212.64
4	A'	739	708	0.81
5	A'	530	508	103.02
6	A'	386	370	6.55
7	A'	207	198	0.08
8	A"	721	690	13.03
9	A"	120	115	0.61

Atom	x (Å)	y (Å)
Br1	-1.167	-0.531
O2	0.000	0.927
N3	1.451	0.542
O4	2.108	1.546
O5	1.726	-0.623

	Br1	O2	N3	O4	O5
Br1		1.8674	2.8297	3.8782	2.8945
O2	1.8674		1.5015	2.1974	2.3198
N3	2.8297	1.5015		1.1995	1.1971
O4	3.8782	2.1974	1.1995		2.2022
O5	2.8945	2.3198	1.1971	2.2022

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	113.830		O2	N3	O4	108.366
O2	N3	O5	118.111		O4	N3	O5	133.523

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

using model chemistry: B2PLYP/cc-pVDZ

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	0.215
2	O	-0.308
3	N	0.408
4	O	-0.155
5	O	-0.159

	x	y	z	Total
	-0.983	-1.006	0.000	1.407
CHELPG
AIM
ESP

	x	y	z
x	7.476	1.955	0.000
y	1.955	5.755	0.000
z	0.000	0.000	2.302

<r²>	187.323
(<r²>)^1/2	13.687

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

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

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