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	hartrees
Energy at 0K	-291.828455
Energy at 298.15K	-291.833862
HF Energy	-291.828455
Nuclear repulsion energy	158.233795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1578	1421	600.56
2	A'	1346	1212	358.64
3	A'	995	896	245.05
4	A'	820	739	29.55
5	A'	699	630	6.03
6	A'	418	376	7.27
7	A'	226	203	2.68
8	A"	769	693	29.64
9	A"	91	82	1.67

Atom	x (Å)	y (Å)
Br1	-1.147	-0.606
O2	0.000	0.878
N3	1.382	0.659
O4	2.019	1.695
O5	1.790	-0.498

	Br1	O2	N3	O4	O5
Br1		1.8754	2.8282	3.9140	2.9394
O2	1.8754		1.3996	2.1782	2.2576
N3	2.8282	1.3996		1.2160	1.2267
O4	3.9140	2.1782	1.2160		2.2049
O5	2.9394	2.2576	1.2267	2.2049

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	118.728		O2	N3	O4	112.583
O2	N3	O5	118.405		O4	N3	O5	129.012

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

using model chemistry: HF/SDD

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	0.459
2	O	-0.475
3	N	0.519
4	O	-0.228
5	O	-0.275

	x	y	z	Total
	-3.227	-1.975	0.000	3.783
CHELPG
AIM
ESP

	x	y	z
x	6.194	2.477	0.000
y	2.477	6.192	0.000
z	0.000	0.000	1.140

<r²>	141.629
(<r²>)^1/2	11.901

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

using model chemistry: HF/SDD

States and conformations

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