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	hartrees
Energy at 0K	-2840.454279
Energy at 298.15K	-2840.459218
HF Energy	-2840.454279
Nuclear repulsion energy	315.568769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1382	1374	88.48
2	A'	1057	1051	221.25
3	A'	726	722	76.25
4	A'	650	646	8.35
5	A'	519	516	2.44
6	A'	331	330	0.22
7	A'	173	172	0.07
8	A"	572	568	7.04
9	A"	132	131	0.52

Atom	x (Å)	y (Å)
Br1	-1.229	-0.496
O2	0.000	0.971
N3	1.537	0.489
O4	2.270	1.524
O5	1.762	-0.755

	Br1	O2	N3	O4	O5
Br1		1.9138	2.9353	4.0396	3.0020
O2	1.9138		1.6107	2.3359	2.4666
N3	2.9353	1.6107		1.2688	1.2635
O4	4.0396	2.3359	1.2688		2.3348
O5	3.0020	2.4666	1.2635	2.3348

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	112.500		O2	N3	O4	107.836
O2	N3	O5	117.721		O4	N3	O5	134.443

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

using model chemistry: BLYP/3-21G

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	0.230
2	O	-0.274
3	N	0.463
4	O	-0.201
5	O	-0.219

	x	y	z	Total
	-0.961	-0.894	0.000	1.313
CHELPG
AIM
ESP

	x	y	z
x	7.955	2.266	0.000
y	2.266	5.103	0.000
z	0.000	0.000	1.123

<r²>	200.589
(<r²>)^1/2	14.163

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

using model chemistry: BLYP/3-21G

States and conformations

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