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	hartrees
Energy at 0K	-2851.845616
Energy at 298.15K	-2851.850866
HF Energy	-2851.845616
Nuclear repulsion energy	330.481837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1778	1712	317.55
2	A'	1323	1274	289.49
3	A'	789	759	184.32
4	A'	734	707	7.80
5	A'	528	508	80.23
6	A'	385	370	5.37
7	A'	195	188	0.05
8	A"	713	686	8.41
9	A"	158	152	0.35

Atom	x (Å)	y (Å)
Br1	-1.164	-0.522
O2	0.000	0.908
N3	1.446	0.534
O4	2.102	1.543
O5	1.726	-0.635

	Br1	O2	N3	O4	O5
Br1		1.8438	2.8152	3.8643	2.8924
O2	1.8438		1.4931	2.1959	2.3148
N3	2.8152	1.4931		1.2040	1.2017
O4	3.8643	2.1959	1.2040		2.2101
O5	2.8924	2.3148	1.2017	2.2101

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	114.650		O2	N3	O4	108.531
O2	N3	O5	118.000		O4	N3	O5	133.469

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

using model chemistry: TPSSh/6-31+G**

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	0.182
2	O	-0.045
3	N	-0.108
4	O	-0.028
5	O	-0.001

	x	y	z	Total
	-1.225	-0.955	0.000	1.553
CHELPG
AIM
ESP

	x	y	z
x	9.127	1.895	0.000
y	1.895	6.960	0.000
z	0.000	0.000	3.872

<r²>	186.569
(<r²>)^1/2	13.659

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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