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	hartrees
Energy at 0K	-2854.573402
Energy at 298.15K	-2854.578687
HF Energy	-2854.573402
Nuclear repulsion energy	332.161863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1774	1715	338.71
2	A'	1331	1287	292.00
3	A'	820	792	204.44
4	A'	753	728	4.94
5	A'	554	536	94.60
6	A'	399	386	2.82
7	A'	208	201	0.01
8	A"	741	716	11.94
9	A"	121	117	0.29

Atom	x (Å)	y (Å)
Br1	-1.161	-0.522
O2	0.000	0.902
N3	1.441	0.536
O4	2.094	1.532
O5	1.724	-0.618

	Br1	O2	N3	O4	O5
Br1		1.8369	2.8087	3.8484	2.8860
O2	1.8369		1.4865	2.1865	2.2982
N3	2.8087	1.4865		1.1907	1.1887
O4	3.8484	2.1865	1.1907		2.1820
O5	2.8860	2.2982	1.1887	2.1820

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	114.956		O2	N3	O4	109.016
O2	N3	O5	117.995		O4	N3	O5	132.990

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

using model chemistry: B3LYPultrafine/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	0.200
2	O	-0.274
3	N	0.457
4	O	-0.191
5	O	-0.192

	x	y	z	Total
	-1.251	-0.940	0.000	1.565
CHELPG
AIM
ESP

	x	y	z
x	8.391	1.871	0.000
y	1.871	6.427	0.000
z	0.000	0.000	3.362

<r²>	185.199
(<r²>)^1/2	13.609

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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