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	hartrees
Energy at 0K	-2821.956302
Energy at 298.15K	-2821.961257
HF Energy	-2821.956302
Nuclear repulsion energy	323.768776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1757	1550	28.93
2	A'	1307	1153	124.21
3	A'	885	780	52.16
4	A'	824	727	26.27
5	A'	566	499	4.31
6	A'	377	332	0.25
7	A'	209	185	0.21
8	A"	547	483	3.48
9	A"	115	102	0.02

Atom	x (Å)	y (Å)
Br1	-1.181	-0.465
O2	0.000	0.985
N3	1.447	0.464
O4	2.273	1.455
O5	1.628	-0.813

	Br1	O2	N3	O4	O5
Br1		1.8696	2.7868	3.9511	2.8310
O2	1.8696		1.5377	2.3207	2.4254
N3	2.7868	1.5377		1.2902	1.2891
O4	3.9511	2.3207	1.2902		2.3572
O5	2.8310	2.4254	1.2891	2.3572

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	109.365		O2	N3	O4	109.987
O2	N3	O5	117.918		O4	N3	O5	132.094

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

using model chemistry: PBE1PBE/STO-3G

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	0.102
2	O	-0.086
3	N	0.159
4	O	-0.085
5	O	-0.091

	x	y	z	Total
	-0.710	-0.181	0.000	0.732
CHELPG
AIM
ESP

	x	y	z
x	5.110	1.648	0.000
y	1.648	3.439	0.000
z	0.000	0.000	0.452

<r²>	187.401
(<r²>)^1/2	13.689

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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