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	hartrees
Energy at 0K	-2850.394477
Energy at 298.15K	-2850.399791
HF Energy	-2850.394477
Nuclear repulsion energy	336.565010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1828	1808	280.50
2	A'	1346	1331	257.53
3	A'	808	799	162.18
4	A'	744	736	3.24
5	A'	542	536	69.58
6	A'	406	402	3.74
7	A'	206	204	0.07
8	A"	733	725	9.58
9	A"	146	144	0.26

Atom	x (Å)	y (Å)
Br1	-1.144	-0.496
O2	0.000	0.905
N3	1.424	0.503
O4	2.096	1.483
O5	1.663	-0.658

	Br1	O2	N3	O4	O5
Br1		1.8087	2.7553	3.7965	2.8121
O2	1.8087		1.4793	2.1741	2.2827
N3	2.7553	1.4793		1.1884	1.1859
O4	3.7965	2.1741	1.1884		2.1847
O5	2.8121	2.2827	1.1859	2.1847

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	113.474		O2	N3	O4	108.677
O2	N3	O5	117.423		O4	N3	O5	133.900

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

using model chemistry: LSDA/cc-pVTZ

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	0.181
2	O	-0.242
3	N	0.376
4	O	-0.157
5	O	-0.158

	x	y	z	Total
	-1.122	-0.869	0.000	1.419
CHELPG
AIM
ESP

	x	y	z
x	8.676	1.874	0.000
y	1.874	6.351	0.000
z	0.000	0.000	3.393

<r²>	179.970
(<r²>)^1/2	13.415

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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