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	hartrees
Energy at 0K	-2854.462630
Energy at 298.15K	-2854.467642
HF Energy	-2854.462630
Nuclear repulsion energy	321.916195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1705	1698	247.16
2	A'	1264	1260	283.95
3	A'	772	769	156.41
4	A'	673	671	0.15
5	A'	447	446	46.72
6	A'	348	347	10.07
7	A'	177	176	0.24
8	A"	658	655	9.07
9	A"	124	123	0.83

Atom	x (Å)	y (Å)
Br1	-1.210	-0.520
O2	0.000	0.934
N3	1.520	0.522
O4	2.174	1.537
O5	1.788	-0.652

	Br1	O2	N3	O4	O5
Br1		1.8913	2.9218	3.9595	3.0004
O2	1.8913		1.5750	2.2558	2.3899
N3	2.9218	1.5750		1.2073	1.2040
O4	3.9595	2.2558	1.2073		2.2226
O5	3.0004	2.3899	1.2040	2.2226

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	114.592		O2	N3	O4	107.609
O2	N3	O5	118.017		O4	N3	O5	134.374

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

using model chemistry: BLYP/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	0.213
2	O	-0.311
3	N	0.394
4	O	-0.146
5	O	-0.151

	x	y	z	Total
	-0.756	-0.977	0.000	1.235
CHELPG
AIM
ESP

	x	y	z
x	8.802	2.150	0.000
y	2.150	6.081	0.000
z	0.000	0.000	2.492

<r²>	195.989
(<r²>)^1/2	14.000

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

using model chemistry: BLYP/6-311G**

States and conformations

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