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	hartrees
Energy at 0K	-70.921031
Energy at 298.15K	-70.926085
HF Energy	-70.921031
Nuclear repulsion energy	90.777257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1546	1498	187.26
2	A'	1193	1155	259.53
3	A'	758	734	196.41
4	A'	692	670	2.16
5	A'	563	545	19.24
6	A'	359	347	0.02
7	A'	183	177	0.01
8	A"	634	614	5.33
9	A"	107	103	0.99

Atom	x (Å)	y (Å)
Br1	-1.206	-0.577
O2	0.000	0.944
N3	1.477	0.602
O4	2.156	1.667
O5	1.828	-0.612

	Br1	O2	N3	O4	O5
Br1		1.9414	2.9311	4.0430	3.0344
O2	1.9414		1.5165	2.2745	2.4002
N3	2.9311	1.5165		1.2638	1.2628
O4	4.0430	2.2745	1.2638		2.3025
O5	3.0344	2.4002	1.2628	2.3025

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	115.364		O2	N3	O4	109.451
O2	N3	O5	119.171		O4	N3	O5	131.377

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

using model chemistry: B3LYP/CEP-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	0.298
2	O	-0.257
3	N	-0.046
4	O	-0.007
5	O	0.011

	x	y	z	Total
	-1.784	-1.333	0.000	2.227
CHELPG
AIM
ESP

	x	y	z
x	8.438	2.720	0.000
y	2.720	6.395	0.000
z	0.000	0.000	1.361

<r²>	120.737
(<r²>)^1/2	10.988

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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