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	hartrees
Energy at 0K	-2854.358673
Energy at 298.15K	-2854.364183
HF Energy	-2854.358673
Nuclear repulsion energy	335.365998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1862	1862	414.34
2	A'	1413	1413	340.03
3	A'	883	883	298.79
4	A'	814	814	0.61
5	A'	668	668	56.93
6	A'	428	428	0.37
7	A'	235	235	0.13
8	A"	789	789	18.28
9	A"	143	143	0.56

Atom	x (Å)	y (Å)
Br1	-1.137	-0.549
O2	0.000	0.896
N3	1.398	0.574
O4	2.039	1.570
O5	1.711	-0.569

	Br1	O2	N3	O4	O5
Br1		1.8382	2.7725	3.8175	2.8477
O2	1.8382		1.4347	2.1474	2.2521
N3	2.7725	1.4347		1.1842	1.1848
O4	3.8175	2.1474	1.1842		2.1637
O5	2.8477	2.2521	1.1848	2.1637

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	115.242		O2	N3	O4	109.792
O2	N3	O5	118.261		O4	N3	O5	131.947

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

using model chemistry: M06-2X/6-311G**

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	0.272
2	O	-0.335
3	N	0.505
4	O	-0.215
5	O	-0.227

	x	y	z	Total
	-1.654	-1.170	0.000	2.026
CHELPG
AIM
ESP

	x	y	z
x	6.929	1.905	0.000
y	1.905	5.833	0.000
z	0.000	0.000	2.404

<r²>	182.145
(<r²>)^1/2	13.496

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

using model chemistry: M06-2X/6-311G**

States and conformations

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