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	hartrees
Energy at 0K	-2850.276403
Energy at 298.15K	-2850.281677
HF Energy	-2850.276403
Nuclear repulsion energy	333.521457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1840	1823	260.92
2	A'	1354	1341	262.88
3	A'	815	807	169.45
4	A'	732	725	0.16
5	A'	535	529	60.15
6	A'	401	397	1.86
7	A'	201	199	0.07
8	A"	730	723	10.43
9	A"	143	142	0.59

Atom	x (Å)	y (Å)
Br1	-1.149	-0.525
O2	0.000	0.912
N3	1.429	0.537
O4	2.077	1.535
O5	1.699	-0.619

	Br1	O2	N3	O4	O5
Br1		1.8405	2.7882	3.8283	2.8499
O2	1.8405		1.4774	2.1688	2.2875
N3	2.7882	1.4774		1.1904	1.1871
O4	3.8283	2.1688	1.1904		2.1871
O5	2.8499	2.2875	1.1871	2.1871

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	113.907		O2	N3	O4	108.288
O2	N3	O5	117.890		O4	N3	O5	133.822

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

using model chemistry: SVWN/6-311G*

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	0.233
2	O	-0.298
3	N	0.376
4	O	-0.154
5	O	-0.157

	x	y	z	Total
	-1.125	-1.020	0.000	1.518
CHELPG
AIM
ESP

	x	y	z
x	7.975	2.053	0.000
y	2.053	5.868	0.000
z	0.000	0.000	2.486

<r²>	183.075
(<r²>)^1/2	13.531

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

using model chemistry: SVWN/6-311G*

States and conformations

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