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	hartrees
Energy at 0K	-2854.818993
Energy at 298.15K	-2854.824374
HF Energy	-2854.818993
Nuclear repulsion energy	337.143749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1814	1738	378.04
2	A'	1367	1310	283.39
3	A'	839	804	219.78
4	A'	784	751	10.52
5	A'	608	583	90.36
6	A'	419	401	1.03
7	A'	213	204	0.06
8	A"	770	738	10.66
9	A"	124	119	0.13

Atom	x (Å)	y (Å)
Br1	-1.137	-0.521
O2	0.000	0.892
N3	1.404	0.539
O4	2.061	1.524
O5	1.687	-0.610

	Br1	O2	N3	O4	O5
Br1		1.8137	2.7533	3.7963	2.8253
O2	1.8137		1.4474	2.1559	2.2581
N3	2.7533	1.4474		1.1843	1.1830
O4	3.7963	2.1559	1.1843		2.1664
O5	2.8253	2.2581	1.1830	2.1664

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	114.728		O2	N3	O4	109.606
O2	N3	O5	117.941		O4	N3	O5	132.453

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

using model chemistry: B1B95/aug-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	0.278
2	O	-0.425
3	N	1.057
4	O	-0.458
5	O	-0.453

	x	y	z	Total
	-1.442	-0.929	0.000	1.715
CHELPG
AIM
ESP

	x	y	z
x	9.105	1.659	0.000
y	1.659	7.286	0.000
z	0.000	0.000	4.663

<r²>	180.086
(<r²>)^1/2	13.420

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

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

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