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	hartrees
Energy at 0K	-2839.685987
Energy at 298.15K	-2839.691041
HF Energy	-2839.467306
Nuclear repulsion energy	320.015182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1431	1431	74.01
2	A'	1059	1059	259.12
3	A'	757	757	126.15
4	A'	689	689	18.31
5	A'	554	554	16.34
6	A'	352	352	1.31
7	A'	196	196	0.01
8	A"	608	608	9.71
9	A"	118	118	0.73

Atom	x (Å)	y (Å)
Br1	-1.207	-0.491
O2	0.000	0.969
N3	1.501	0.488
O4	2.251	1.501
O5	1.715	-0.751

	Br1	O2	N3	O4	O5
Br1		1.8941	2.8791	3.9899	2.9337
O2	1.8941		1.5763	2.3126	2.4292
N3	2.8791	1.5763		1.2600	1.2571
O4	3.9899	2.3126	1.2600		2.3140
O5	2.9337	2.4292	1.2571	2.3140

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	111.796		O2	N3	O4	108.739
O2	N3	O5	117.600		O4	N3	O5	133.661

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

using model chemistry: B2PLYP/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	0.254
2	O	-0.318
3	N	0.506
4	O	-0.213
5	O	-0.229

	x	y	z	Total
	-0.974	-1.010	0.000	1.403
CHELPG
AIM
ESP

	x	y	z
x	7.283	2.137	0.000
y	2.137	5.041	0.000
z	0.000	0.000	1.093

<r²>	195.410
(<r²>)^1/2	13.979

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

using model chemistry: B2PLYP/3-21G

States and conformations

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