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	hartrees
Energy at 0K	-2840.704263
Energy at 298.15K	-2840.709209
HF Energy	-2840.704263
Nuclear repulsion energy	319.259770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1391	1382	89.42
2	A'	1061	1054	224.41
3	A'	724	719	82.13
4	A'	682	678	0.63
5	A'	508	505	4.96
6	A'	337	335	0.19
7	A'	177	176	0.07
8	A"	564	561	6.23
9	A"	130	130	0.46

Atom	x (Å)	y (Å)
Br1	-1.221	-0.441
O2	0.000	0.985
N3	1.533	0.422
O4	2.326	1.407
O5	1.673	-0.833

	Br1	O2	N3	O4	O5
Br1		1.8770	2.8854	3.9996	2.9195
O2	1.8770		1.6326	2.3644	2.4702
N3	2.8854	1.6326		1.2649	1.2630
O4	3.9996	2.3644	1.2649		2.3335
O5	2.9195	2.4702	1.2630	2.3335

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	110.404		O2	N3	O4	108.716
O2	N3	O5	116.518		O4	N3	O5	134.766

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

using model chemistry: BLYP/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	0.171
2	O	-0.219
3	N	0.463
4	O	-0.203
5	O	-0.213

	x	y	z	Total
	-0.846	-0.840	0.000	1.192
CHELPG
AIM
ESP

	x	y	z
x	8.559	1.917	0.000
y	1.917	5.395	0.000
z	0.000	0.000	2.070

<r²>	195.491
(<r²>)^1/2	13.982

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

using model chemistry: BLYP/3-21G*

States and conformations

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