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	hartrees
Energy at 0K	-2847.984043
Energy at 298.15K	-2847.989412
HF Energy	-2847.984043
Nuclear repulsion energy	339.336107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1852	1823	239.57
2	A'	1359	1337	227.09
3	A'	811	798	127.69
4	A'	764	751	18.16
5	A'	563	554	57.54
6	A'	417	410	2.87
7	A'	219	216	0.20
8	A"	733	722	8.73
9	A"	155	153	0.10

Atom	x (Å)	y (Å)
Br1	-1.135	-0.476
O2	0.000	0.901
N3	1.409	0.481
O4	2.103	1.450
O5	1.628	-0.691

	Br1	O2	N3	O4	O5
Br1		1.7838	2.7180	3.7676	2.7712
O2	1.7838		1.4707	2.1740	2.2765
N3	2.7180	1.4707		1.1924	1.1913
O4	3.7676	2.1740	1.1924		2.1929
O5	2.7712	2.2765	1.1913	2.1929

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	112.909		O2	N3	O4	108.992
O2	N3	O5	117.171		O4	N3	O5	133.837

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

using model chemistry: LSDA/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	0.241
2	O	-0.364
3	N	0.660
4	O	-0.279
5	O	-0.257

	x	y	z	Total
	-1.011	-0.680	0.000	1.218
CHELPG
AIM
ESP

	x	y	z
x	8.638	1.698	0.000
y	1.698	6.278	0.000
z	0.000	0.000	3.851

<r²>	176.513
(<r²>)^1/2	13.286

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

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

States and conformations

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