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	hartrees
Energy at 0K	-2851.480152
Energy at 298.15K	-2851.485340
HF Energy	-2851.480152
Nuclear repulsion energy	331.957055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1787	1769	235.60
2	A'	1310	1297	241.46
3	A'	782	774	127.39
4	A'	724	717	10.43
5	A'	491	485	55.13
6	A'	377	373	11.12
7	A'	201	199	0.05
8	A"	694	686	7.36
9	A"	143	142	0.19

Atom	x (Å)	y (Å)
Br1	-1.172	-0.469
O2	0.000	0.915
N3	1.466	0.466
O4	2.162	1.446
O5	1.680	-0.716

	Br1	O2	N3	O4	O5
Br1		1.8137	2.7981	3.8447	2.8626
O2	1.8137		1.5332	2.2264	2.3417
N3	2.7981	1.5332		1.2023	1.2006
O4	3.8447	2.2264	1.2023		2.2143
O5	2.8626	2.3417	1.2006	2.2143

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	113.182		O2	N3	O4	108.350
O2	N3	O5	117.352		O4	N3	O5	134.298

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	0.248
2	O	-0.392
3	N	0.704
4	O	-0.288
5	O	-0.271

	x	y	z	Total
	-0.720	-0.642	0.000	0.964
CHELPG
AIM
ESP

	x	y	z
x	9.128	1.723	0.000
y	1.723	6.433	0.000
z	0.000	0.000	3.910

<r²>	183.997
(<r²>)^1/2	13.565

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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