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	hartrees
Energy at 0K	-2818.009266
Energy at 298.15K	-2818.014163
HF Energy	-2818.009266
Nuclear repulsion energy	323.677037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1726	1545	17.09
2	A'	1282	1148	82.02
3	A'	829	742	33.89
4	A'	806	722	16.98
5	A'	550	492	2.67
6	A'	360	322	0.14
7	A'	191	171	0.12
8	A"	530	474	1.52
9	A"	139	124	0.02

Atom	x (Å)	y (Å)
Br1	-1.180	-0.444
O2	0.000	1.005
N3	1.460	0.436
O4	2.314	1.411
O5	1.573	-0.855

	Br1	O2	N3	O4	O5
Br1		1.8693	2.7838	3.9562	2.7839
O2	1.8693		1.5673	2.3490	2.4363
N3	2.7838	1.5673		1.2955	1.2965
O4	3.9562	2.3490	1.2955		2.3843
O5	2.7839	2.4363	1.2965	2.3843

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	107.877		O2	N3	O4	109.918
O2	N3	O5	116.263		O4	N3	O5	133.818

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

using model chemistry: LSDA/STO-3G

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	0.093
2	O	-0.073
3	N	0.119
4	O	-0.068
5	O	-0.071

	x	y	z	Total
	-0.580	-0.156	0.000	0.600
CHELPG
AIM
ESP

	x	y	z
x	5.468	1.616	0.000
y	1.616	3.365	0.000
z	0.000	0.000	0.463

<r²>	186.582
(<r²>)^1/2	13.660

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

using model chemistry: LSDA/STO-3G

States and conformations

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