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	hartrees
Energy at 0K	-2853.754004
Energy at 298.15K	-2853.759126
HF Energy	-2853.754004
Nuclear repulsion energy	326.499067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1788	1778	227.70
2	A'	1315	1308	261.22
3	A'	785	780	154.88
4	A'	699	695	0.01
5	A'	476	474	50.19
6	A'	371	369	5.76
7	A'	189	188	0.12
8	A"	687	683	10.01
9	A"	129	128	0.57

Atom	x (Å)	y (Å)
Br1	-1.181	-0.525
O2	0.000	0.929
N3	1.477	0.530
O4	2.129	1.544
O5	1.748	-0.640

	Br1	O2	N3	O4	O5
Br1		1.8738	2.8602	3.9039	2.9315
O2	1.8738		1.5301	2.2158	2.3489
N3	2.8602	1.5301		1.2058	1.2009
O4	3.9039	2.2158	1.2058		2.2174
O5	2.9315	2.3489	1.2009	2.2174

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	113.962		O2	N3	O4	107.588
O2	N3	O5	118.158		O4	N3	O5	134.254

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

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	0.189
2	O	-0.276
3	N	0.363
4	O	-0.136
5	O	-0.140

	x	y	z	Total
	-0.784	-0.894	0.000	1.189
CHELPG
AIM
ESP

	x	y	z
x	8.117	2.068	0.000
y	2.068	5.818	0.000
z	0.000	0.000	2.362

<r²>	189.941
(<r²>)^1/2	13.782

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

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