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	hartrees
Energy at 0K	-2853.799182
Energy at 298.15K	-2853.804302
HF Energy	-2853.799182
Nuclear repulsion energy	326.269534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1772	1756	255.27
2	A'	1305	1293	275.96
3	A'	790	782	161.81
4	A'	699	692	0.05
5	A'	474	469	57.44
6	A'	370	367	7.09
7	A'	187	185	0.16
8	A"	689	682	9.13
9	A"	131	129	0.71

Atom	x (Å)	y (Å)
Br1	-1.185	-0.526
O2	0.000	0.925
N3	1.482	0.532
O4	2.129	1.545
O5	1.758	-0.634

	Br1	O2	N3	O4	O5
Br1		1.8730	2.8694	3.9077	2.9448
O2	1.8730		1.5335	2.2175	2.3490
N3	2.8694	1.5335		1.2017	1.1976
O4	3.9077	2.2175	1.2017		2.2097
O5	2.9448	2.3490	1.1976	2.2097

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	114.411		O2	N3	O4	107.723
O2	N3	O5	118.135		O4	N3	O5	134.142

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

using model chemistry: PBEPBE/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	0.214
2	O	-0.304
3	N	0.404
4	O	-0.155
5	O	-0.160

	x	y	z	Total
	-0.840	-0.963	0.000	1.278
CHELPG
AIM
ESP

	x	y	z
x	8.437	2.112	0.000
y	2.112	6.026	0.000
z	0.000	0.000	2.499

<r²>	190.863
(<r²>)^1/2	13.815

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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