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	hartrees
Energy at 0K	-2822.786537
Energy at 298.15K	-2822.791482
HF Energy	-2822.786537
Nuclear repulsion energy	324.242429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1743	1539	28.25
2	A'	1296	1145	120.07
3	A'	877	774	48.73
4	A'	822	726	29.51
5	A'	559	494	4.36
6	A'	374	330	0.23
7	A'	222	196	0.21
8	A"	545	481	3.49
9	A"	107	94	0.02

Atom	x (Å)	y (Å)
Br1	-1.179	-0.458
O2	0.000	0.992
N3	1.445	0.457
O4	2.286	1.436
O5	1.607	-0.823

	Br1	O2	N3	O4	O5
Br1		1.8688	2.7785	3.9487	2.8094
O2	1.8688		1.5409	2.3288	2.4242
N3	2.7785	1.5409		1.2910	1.2899
O4	3.9487	2.3288	1.2910		2.3589
O5	2.8094	2.4242	1.2899	2.3589

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	108.775		O2	N3	O4	110.328
O2	N3	O5	117.548		O4	N3	O5	132.124

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

using model chemistry: B1B95/STO-3G

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	0.105
2	O	-0.088
3	N	0.160
4	O	-0.085
5	O	-0.091

	x	y	z	Total
	-0.707	-0.172	0.000	0.727
CHELPG
AIM
ESP

	x	y	z
x	5.126	1.652	0.000
y	1.652	3.441	0.000
z	0.000	0.000	0.456

<r²>	186.667
(<r²>)^1/2	13.663

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

using model chemistry: B1B95/STO-3G

States and conformations

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