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	hartrees
Energy at 0K	-2822.622062
Energy at 298.15K	-2822.626997
HF Energy	-2822.622062
Nuclear repulsion energy	323.198704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1745	1533	28.55
2	A'	1300	1142	123.39
3	A'	880	773	50.36
4	A'	820	721	27.42
5	A'	562	494	4.26
6	A'	374	329	0.24
7	A'	206	181	0.20
8	A"	542	477	3.41
9	A"	113	100	0.01

Atom	x (Å)	y (Å)
Br1	-1.184	-0.464
O2	0.000	0.985
N3	1.450	0.463
O4	2.276	1.456
O5	1.635	-0.815

	Br1	O2	N3	O4	O5
Br1		1.8711	2.7924	3.9572	2.8404
O2	1.8711		1.5413	2.3246	2.4314
N3	2.7924	1.5413		1.2918	1.2909
O4	3.9572	2.3246	1.2918		2.3595
O5	2.8404	2.4314	1.2909	2.3595

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	109.451		O2	N3	O4	109.964
O2	N3	O5	118.023		O4	N3	O5	132.014

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

using model chemistry: mPW1PW91/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	0.104
2	O	-0.087
3	N	0.159
4	O	-0.085
5	O	-0.091

	x	y	z	Total
	-0.725	-0.191	0.000	0.750
CHELPG
AIM
ESP

	x	y	z
x	5.150	1.652	0.000
y	1.652	3.450	0.000
z	0.000	0.000	0.453

<r²>	188.043
(<r²>)^1/2	13.713

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

using model chemistry: mPW1PW91/STO-3G

States and conformations

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