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	hartrees
Energy at 0K	-70.928535
Energy at 298.15K	-70.933625
HF Energy	-70.928535
Nuclear repulsion energy	90.978072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1551	1512	207.94
2	A'	1191	1161	262.19
3	A'	753	734	197.74
4	A'	694	677	1.44
5	A'	559	545	22.70
6	A'	360	351	0.04
7	A'	185	180	0.01
8	A"	640	624	7.26
9	A"	109	106	0.95

Atom	x (Å)	y (Å)
Br1	-1.204	-0.576
O2	0.000	0.944
N3	1.475	0.600
O4	2.153	1.662
O5	1.823	-0.610

	Br1	O2	N3	O4	O5
Br1		1.9390	2.9259	4.0349	3.0270
O2	1.9390		1.5147	2.2699	2.3950
N3	2.9259	1.5147		1.2602	1.2588
O4	4.0349	2.2699	1.2602		2.2959
O5	3.0270	2.3950	1.2588	2.2959

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	115.265		O2	N3	O4	109.430
O2	N3	O5	119.150		O4	N3	O5	131.419

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

using model chemistry: B3LYP/CEP-121G

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	0.319
2	O	-0.305
3	N	0.065
4	O	-0.047
5	O	-0.032

	x	y	z	Total
	-1.781	-1.323	0.000	2.218
CHELPG
AIM
ESP

	x	y	z
x	8.464	2.675	0.000
y	2.675	6.432	0.000
z	0.000	0.000	1.557

<r²>	120.314
(<r²>)^1/2	10.969

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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