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	hartrees
Energy at 0K	-293.350956
Energy at 298.15K	-293.355995
HF Energy	-293.350956
Nuclear repulsion energy	152.019888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1562	1502	218.67
2	A'	1193	1147	271.44
3	A'	756	727	211.05
4	A'	688	662	1.37
5	A'	549	527	37.24
6	A'	356	342	0.25
7	A'	182	175	0.00
8	A"	640	615	9.77
9	A"	108	104	1.32

Atom	x (Å)	y (Å)
Br1	-1.208	-0.581
O2	0.000	0.944
N3	1.490	0.606
O4	2.151	1.663
O5	1.828	-0.594

	Br1	O2	N3	O4	O5
Br1		1.9453	2.9473	4.0395	3.0360
O2	1.9453		1.5280	2.2681	2.3892
N3	2.9473	1.5280		1.2468	1.2467
O4	4.0395	2.2681	1.2468		2.2801
O5	3.0360	2.3892	1.2467	2.2801

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	115.589		O2	N3	O4	109.232
O2	N3	O5	118.525		O4	N3	O5	132.243

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

using model chemistry: B3LYP/LANL2DZ

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	0.296
2	O	-0.332
3	N	0.292
4	O	-0.121
5	O	-0.135

	x	y	z	Total
	-1.639	-1.399	0.000	2.155
CHELPG
AIM
ESP

	x	y	z
x	7.980	2.736	0.000
y	2.736	6.132	0.000
z	0.000	0.000	1.061

<r²>	149.889
(<r²>)^1/2	12.243

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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