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	hartrees
Energy at 0K	-2853.860786
Energy at 298.15K	-2853.865860
HF Energy	-2853.860786
Nuclear repulsion energy	326.370725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1749	1729	293.19
2	A'	1293	1278	292.52
3	A'	782	773	161.00
4	A'	695	687	0.61
5	A'	463	458	60.60
6	A'	360	356	13.15
7	A'	183	181	0.16
8	A"	673	665	6.96
9	A"	125	124	0.78

Atom	x (Å)	y (Å)
Br1	-1.195	-0.498
O2	0.000	0.921
N3	1.500	0.498
O4	2.168	1.495
O5	1.747	-0.673

	Br1	O2	N3	O4	O5
Br1		1.8552	2.8732	3.9092	2.9476
O2	1.8552		1.5585	2.2427	2.3655
N3	2.8732	1.5585		1.2001	1.1973
O4	3.9092	2.2427	1.2001		2.2089
O5	2.9476	2.3655	1.1973	2.2089

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	114.357		O2	N3	O4	108.074
O2	N3	O5	117.668		O4	N3	O5	134.258

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

using model chemistry: PBEPBEultrafine/TZVP

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	0.149
2	O	-0.205
3	N	0.169
4	O	-0.067
5	O	-0.046

	x	y	z	Total
	-0.889	-1.004	0.000	1.340
CHELPG
AIM
ESP

	x	y	z
x	9.234	2.083	0.000
y	2.083	6.478	0.000
z	0.000	0.000	2.894

<r²>	191.261
(<r²>)^1/2	13.830

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

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

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