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	hartrees
Energy at 0K	-2851.711722
Energy at 298.15K	-2851.716604
HF Energy	-2851.711722
Nuclear repulsion energy	314.445969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1551	1540	148.70
2	A'	1167	1158	239.76
3	A'	717	712	119.56
4	A'	641	636	1.22
5	A'	467	464	26.18
6	A'	328	325	3.55
7	A'	166	165	0.09
8	A"	601	596	6.14
9	A"	117	116	0.99

Atom	x (Å)	y (Å)
Br1	-1.234	-0.517
O2	0.000	0.984
N3	1.548	0.514
O4	2.262	1.536
O5	1.784	-0.707

	Br1	O2	N3	O4	O5
Br1		1.9440	2.9674	4.0548	3.0246
O2	1.9440		1.6180	2.3283	2.4584
N3	2.9674	1.6180		1.2469	1.2432
O4	4.0548	2.3283	1.2469		2.2932
O5	3.0246	2.4584	1.2432	2.2932

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	112.506		O2	N3	O4	108.016
O2	N3	O5	117.863		O4	N3	O5	134.121

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

using model chemistry: BLYP/6-31G

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	0.275
2	O	-0.332
3	N	0.397
4	O	-0.162
5	O	-0.178

	x	y	z	Total
	-0.936	-1.069	0.000	1.420
CHELPG
AIM
ESP

	x	y	z
x	8.687	2.421	0.000
y	2.421	5.775	0.000
z	0.000	0.000	1.443

<r²>	203.115
(<r²>)^1/2	14.252

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

using model chemistry: BLYP/6-31G

States and conformations

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