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	hartrees
Energy at 0K	-2839.800197
Energy at 298.15K	-2839.805233
HF Energy	-2839.800197
Nuclear repulsion energy	319.180184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1442	1429	92.59
2	A'	1089	1079	221.91
3	A'	746	740	81.86
4	A'	675	669	8.37
5	A'	544	539	2.59
6	A'	347	344	0.12
7	A'	180	178	0.05
8	A"	595	589	7.27
9	A"	137	136	0.51

Atom	x (Å)	y (Å)
Br1	-1.211	-0.493
O2	0.000	0.966
N3	1.512	0.487
O4	2.243	1.514
O5	1.731	-0.750

	Br1	O2	N3	O4	O5
Br1		1.8961	2.8937	3.9943	2.9524
O2	1.8961		1.5864	2.3088	2.4371
N3	2.8937	1.5864		1.2605	1.2556
O4	3.9943	2.3088	1.2605		2.3208
O5	2.9524	2.4371	1.2556	2.3208

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	112.084		O2	N3	O4	107.838
O2	N3	O5	117.611		O4	N3	O5	134.551

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

using model chemistry: PBEPBE/3-21G

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	0.242
2	O	-0.284
3	N	0.465
4	O	-0.202
5	O	-0.221

	x	y	z	Total
	-0.980	-0.898	0.000	1.329
CHELPG
AIM
ESP

	x	y	z
x	7.696	2.213	0.000
y	2.213	5.050	0.000
z	0.000	0.000	1.132

<r²>	196.270
(<r²>)^1/2	14.010

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

using model chemistry: PBEPBE/3-21G

States and conformations

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