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	hartrees
Energy at 0K	-2851.480358
Energy at 298.15K	-2851.485663
HF Energy	-2851.130017
Nuclear repulsion energy	334.891549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1801	1720	253.47
2	A'	1316	1257	245.98
3	A'	800	764	169.01
4	A'	767	732	22.03
5	A'	546	521	102.15
6	A'	403	385	6.76
7	A'	221	211	0.02
8	A"	735	701	9.37
9	A"	132	126	0.16

Atom	x (Å)	y (Å)
Br1	-1.153	-0.488
O2	0.000	0.908
N3	1.432	0.493
O4	2.120	1.473
O5	1.671	-0.679

	Br1	O2	N3	O4	O5
Br1		1.8100	2.7649	3.8152	2.8306
O2	1.8100		1.4910	2.1941	2.3042
N3	2.7649	1.4910		1.1970	1.1958
O4	3.8152	2.1941	1.1970		2.1976
O5	2.8306	2.3042	1.1958	2.1976

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	113.423		O2	N3	O4	108.935
O2	N3	O5	117.674		O4	N3	O5	133.391

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

using model chemistry: B2PLYP/6-31G(2df,p)

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	0.295
2	O	-0.453
3	N	0.781
4	O	-0.318
5	O	-0.304

	x	y	z	Total
	-0.946	-0.745	0.000	1.204
CHELPG
AIM
ESP

	x	y	z
x	8.392	1.645	0.000
y	1.645	6.364	0.000
z	0.000	0.000	3.812

<r²>	181.277
(<r²>)^1/2	13.464

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

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

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