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	hartrees
Energy at 0K	-2851.560377
Energy at 298.15K	-2851.565545
HF Energy	-2851.560377
Nuclear repulsion energy	323.424965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1672	1601	205.11
2	A'	1258	1205	261.02
3	A'	774	741	182.86
4	A'	727	696	0.07
5	A'	551	528	64.05
6	A'	378	362	2.09
7	A'	195	187	0.01
8	A"	689	660	10.60
9	A"	120	115	1.03

Atom	x (Å)	y (Å)
Br1	-1.185	-0.545
O2	0.000	0.946
N3	1.466	0.561
O4	2.149	1.578
O5	1.751	-0.629

	Br1	O2	N3	O4	O5
Br1		1.9048	2.8727	3.9523	2.9372
O2	1.9048		1.5162	2.2398	2.3553
N3	2.8727	1.5162		1.2248	1.2233
O4	3.9523	2.2398	1.2248		2.2422
O5	2.9372	2.3553	1.2233	2.2422

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	113.738		O2	N3	O4	109.140
O2	N3	O5	118.190		O4	N3	O5	132.670

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

using model chemistry: B3PW91/6-31G

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	0.330
2	O	-0.382
3	N	0.455
4	O	-0.191
5	O	-0.212

	x	y	z	Total
	-1.393	-1.207	0.000	1.843
CHELPG
AIM
ESP

	x	y	z
x	7.542	2.338	0.000
y	2.338	5.686	0.000
z	0.000	0.000	1.432

<r²>	193.555
(<r²>)^1/2	13.912

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

using model chemistry: B3PW91/6-31G

States and conformations

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