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	hartrees
Energy at 0K	-2851.286378
Energy at 298.15K	-2851.291506
HF Energy	-2851.286378
Nuclear repulsion energy	327.630629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1781	1757	219.25
2	A'	1313	1295	251.43
3	A'	780	769	150.36
4	A'	700	690	0.22
5	A'	485	478	48.03
6	A'	374	369	4.11
7	A'	195	192	0.07
8	A"	684	675	9.24
9	A"	132	130	0.36

Atom	x (Å)	y (Å)
Br1	-1.175	-0.519
O2	0.000	0.930
N3	1.464	0.524
O4	2.132	1.534
O5	1.729	-0.653

	Br1	O2	N3	O4	O5
Br1		1.8655	2.8376	3.8922	2.9080
O2	1.8655		1.5194	2.2156	2.3449
N3	2.8376	1.5194		1.2110	1.2065
O4	3.8922	2.2156	1.2110		2.2239
O5	2.9080	2.3449	1.2065	2.2239

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	113.536		O2	N3	O4	107.948
O2	N3	O5	118.229		O4	N3	O5	133.823

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

using model chemistry: PBEPBEultrafine/6-31G**

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	0.205
2	O	-0.328
3	N	0.683
4	O	-0.273
5	O	-0.286

	x	y	z	Total
	-0.919	-0.856	0.000	1.256
CHELPG
AIM
ESP

	x	y	z
x	8.415	1.965	0.000
y	1.965	6.073	0.000
z	0.000	0.000	2.930

<r²>	188.404
(<r²>)^1/2	13.726

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

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

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