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	hartrees
Energy at 0K	-2821.750564
Energy at 298.15K	-2821.755392
HF Energy	-2821.627834
Nuclear repulsion energy	320.541733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1682	1682	6.24
2	A'	1227	1227	124.50
3	A'	836	836	42.83
4	A'	782	782	54.49
5	A'	537	537	2.08
6	A'	357	357	0.78
7	A'	209	209	0.15
8	A"	506	506	1.82
9	A"	106	106	0.00

Atom	x (Å)	y (Å)
Br1	-1.195	-0.451
O2	0.000	1.003
N3	1.465	0.445
O4	2.323	1.434
O5	1.622	-0.853

	Br1	O2	N3	O4	O5
Br1		1.8823	2.8070	3.9910	2.8457
O2	1.8823		1.5679	2.3625	2.4652
N3	2.8070	1.5679		1.3089	1.3075
O4	3.9910	2.3625	1.3089		2.3916
O5	2.8457	2.4652	1.3075	2.3916

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	108.551		O2	N3	O4	110.092
O2	N3	O5	117.758		O4	N3	O5	132.150

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

using model chemistry: B2PLYP/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	0.085
2	O	-0.088
3	N	0.140
4	O	-0.068
5	O	-0.069

	x	y	z	Total
	-0.395	-0.189	0.000	0.437
CHELPG
AIM
ESP

	x	y	z
x	5.360	1.621	0.000
y	1.621	3.442	0.000
z	0.000	0.000	0.461

<r²>	190.262
(<r²>)^1/2	13.794

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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