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	hartrees
Energy at 0K	-2836.278439
Energy at 298.15K	-2836.283642
HF Energy	-2836.278439
Nuclear repulsion energy	326.482371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1536	1509	100.37
2	A'	1149	1128	216.93
3	A'	781	767	88.37
4	A'	716	703	11.01
5	A'	590	579	3.32
6	A'	374	367	0.04
7	A'	196	193	0.02
8	A"	639	628	8.84
9	A"	147	144	0.51

Atom	x (Å)	y (Å)
Br1	-1.178	-0.485
O2	0.000	0.955
N3	1.470	0.482
O4	2.200	1.485
O5	1.666	-0.739

	Br1	O2	N3	O4	O5
Br1		1.8604	2.8190	3.9102	2.8553
O2	1.8604		1.5447	2.2630	2.3765
N3	2.8190	1.5447		1.2404	1.2366
O4	3.9102	2.2630	1.2404		2.2871
O5	2.8553	2.3765	1.2366	2.2871

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	111.426		O2	N3	O4	108.197
O2	N3	O5	116.965		O4	N3	O5	134.838

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

using model chemistry: SVWN/3-21G

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	0.262
2	O	-0.301
3	N	0.463
4	O	-0.203
5	O	-0.221

	x	y	z	Total
	-1.063	-0.929	0.000	1.412
CHELPG
AIM
ESP

	x	y	z
x	7.218	2.108	0.000
y	2.108	4.850	0.000
z	0.000	0.000	1.140

<r²>	188.092
(<r²>)^1/2	13.715

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

using model chemistry: SVWN/3-21G

States and conformations

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