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	hartrees
Energy at 0K	-2851.221335
Energy at 298.15K	-2851.226559
HF Energy	-2850.925093
Nuclear repulsion energy	329.881431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1798	1707	231.71
2	A'	1318	1251	269.27
3	A'	795	755	210.43
4	A'	738	700	1.61
5	A'	544	516	89.71
6	A'	388	368	3.19
7	A'	212	202	0.02
8	A"	715	678	11.85
9	A"	124	117	0.36

Atom	x (Å)	y (Å)
Br1	-1.162	-0.527
O2	0.000	0.929
N3	1.439	0.538
O4	2.111	1.540
O5	1.712	-0.635

	Br1	O2	N3	O4	O5
Br1		1.8621	2.8102	3.8710	2.8754
O2	1.8621		1.4909	2.1981	2.3182
N3	2.8102	1.4909		1.2067	1.2044
O4	3.8710	2.1981	1.2067		2.2116
O5	2.8754	2.3182	1.2044	2.2116

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	113.423		O2	N3	O4	108.688
O2	N3	O5	118.264		O4	N3	O5	133.048

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

using model chemistry: B2PLYP/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	0.235
2	O	-0.367
3	N	0.720
4	O	-0.289
5	O	-0.299

	x	y	z	Total
	-1.128	-0.971	0.000	1.488
CHELPG
AIM
ESP

	x	y	z
x	7.776	1.859	0.000
y	1.859	6.018	0.000
z	0.000	0.000	2.861

<r²>	186.231
(<r²>)^1/2	13.647

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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