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	hartrees
Energy at 0K	-2821.754096
Energy at 298.15K	-2821.758853
HF Energy	-2821.754096
Nuclear repulsion energy	317.594849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1654	1511	17.20
2	A'	1237	1130	85.76
3	A'	785	717	5.90
4	A'	777	710	47.02
5	A'	521	476	1.65
6	A'	340	310	0.12
7	A'	177	162	0.15
8	A"	496	453	1.06
9	A"	127	116	0.01

Atom	x (Å)	y (Å)
Br1	-1.212	-0.447
O2	0.000	1.007
N3	1.499	0.436
O4	2.350	1.432
O5	1.639	-0.866

	Br1	O2	N3	O4	O5
Br1		1.8924	2.8502	4.0261	2.8817
O2	1.8924		1.6037	2.3877	2.4896
N3	2.8502	1.6037		1.3098	1.3101
O4	4.0261	2.3877	1.3098		2.4052
O5	2.8817	2.4896	1.3101	2.4052

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	108.942		O2	N3	O4	109.667
O2	N3	O5	117.041		O4	N3	O5	133.292

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

using model chemistry: PBEPBE/STO-3G

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	0.086
2	O	-0.069
3	N	0.112
4	O	-0.063
5	O	-0.066

	x	y	z	Total
	-0.505	-0.146	0.000	0.525
CHELPG
AIM
ESP

	x	y	z
x	5.797	1.660	0.000
y	1.660	3.457	0.000
z	0.000	0.000	0.461

<r²>	193.676
(<r²>)^1/2	13.917

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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