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	hartrees
Energy at 0K	-2854.527575
Energy at 298.15K	-2854.532972
HF Energy	-2854.527575
Nuclear repulsion energy	334.707604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1827	1751	349.20
2	A'	1379	1322	286.68
3	A'	840	805	226.32
4	A'	786	753	4.68
5	A'	621	595	67.90
6	A'	418	400	0.59
7	A'	217	208	0.08
8	A"	766	734	9.89
9	A"	126	121	0.10

Atom	x (Å)	y (Å)
Br1	-1.138	-0.544
O2	0.000	0.903
N3	1.400	0.566
O4	2.049	1.567
O5	1.705	-0.585

	Br1	O2	N3	O4	O5
Br1		1.8410	2.7698	3.8225	2.8433
O2	1.8410		1.4397	2.1535	2.2630
N3	2.7698	1.4397		1.1932	1.1905
O4	3.8225	2.1535	1.1932		2.1793
O5	2.8433	2.2630	1.1905	2.1793

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	114.635		O2	N3	O4	109.395
O2	N3	O5	118.407		O4	N3	O5	132.198

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	0.421
2	O	-0.603
3	N	1.118
4	O	-0.500
5	O	-0.435

	x	y	z	Total
	-1.495	-0.951	0.000	1.772
CHELPG
AIM
ESP

	x	y	z
x	9.057	1.795	0.000
y	1.795	7.285	0.000
z	0.000	0.000	4.484

<r²>	182.333
(<r²>)^1/2	13.503

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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