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	hartrees
Energy at 0K	-2821.964923
Energy at 298.15K	-2821.969867
HF Energy	-2821.964923
Nuclear repulsion energy	323.477379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1751	1546	28.57
2	A'	1302	1150	122.43
3	A'	877	775	52.57
4	A'	820	724	25.95
5	A'	564	498	4.08
6	A'	374	331	0.24
7	A'	208	183	0.20
8	A"	545	481	3.39
9	A"	116	103	0.01

Atom	x (Å)	y (Å)
Br1	-1.182	-0.464
O2	0.000	0.986
N3	1.449	0.463
O4	2.276	1.454
O5	1.629	-0.814

	Br1	O2	N3	O4	O5
Br1		1.8712	2.7898	3.9546	2.8332
O2	1.8712		1.5404	2.3233	2.4280
N3	2.7898	1.5404		1.2909	1.2898
O4	3.9546	2.3233	1.2909		2.3588
O5	2.8332	2.4280	1.2898	2.3588

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	109.337		O2	N3	O4	109.975
O2	N3	O5	117.891		O4	N3	O5	132.133

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

using model chemistry: HSEh1PBE/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	0.101
2	O	-0.085
3	N	0.158
4	O	-0.084
5	O	-0.090

	x	y	z	Total
	-0.700	-0.179	0.000	0.722
CHELPG
AIM
ESP

	x	y	z
x	5.138	1.650	0.000
y	1.650	3.442	0.000
z	0.000	0.000	0.452

<r²>	187.691
(<r²>)^1/2	13.700

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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