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	hartrees
Energy at 0K	-2851.688468
Energy at 298.15K	-2851.693579
HF Energy	-2851.688468
Nuclear repulsion energy	321.277043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1632	1570	197.29
2	A'	1234	1187	260.79
3	A'	763	734	178.20
4	A'	710	683	0.08
5	A'	535	515	59.49
6	A'	368	354	2.24
7	A'	191	183	0.01
8	A"	671	646	10.74
9	A"	116	112	1.02

Atom	x (Å)	y (Å)
Br1	-1.194	-0.547
O2	0.000	0.953
N3	1.480	0.561
O4	2.166	1.582
O5	1.765	-0.633

	Br1	O2	N3	O4	O5
Br1		1.9174	2.8954	3.9782	2.9603
O2	1.9174		1.5312	2.2556	2.3725
N3	2.8954	1.5312		1.2295	1.2279
O4	3.9782	2.2556	1.2295		2.2511
O5	2.9603	2.3725	1.2279	2.2511

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	113.723		O2	N3	O4	109.090
O2	N3	O5	118.193		O4	N3	O5	132.717

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

using model chemistry: B3LYP/6-31G

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	0.321
2	O	-0.372
3	N	0.449
4	O	-0.188
5	O	-0.209

	x	y	z	Total
	-1.388	-1.209	0.000	1.840
CHELPG
AIM
ESP

	x	y	z
x	7.689	2.380	0.000
y	2.380	5.719	0.000
z	0.000	0.000	1.421

<r²>	195.939
(<r²>)^1/2	13.998

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

using model chemistry: B3LYP/6-31G

States and conformations

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