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	hartrees
Energy at 0K	-2854.408677
Energy at 298.15K	-2854.413952
HF Energy	-2854.408677
Nuclear repulsion energy	329.568028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1808	1754	285.28
2	A'	1351	1310	294.75
3	A'	821	797	210.33
4	A'	746	723	0.40
5	A'	560	543	73.82
6	A'	395	383	1.41
7	A'	205	199	0.02
8	A"	734	712	14.93
9	A"	123	119	0.51

Atom	x (Å)	y (Å)
Br1	-1.161	-0.551
O2	0.000	0.915
N3	1.438	0.569
O4	2.075	1.583
O5	1.745	-0.585

	Br1	O2	N3	O4	O5
Br1		1.8698	2.8303	3.8760	2.9061
O2	1.8698		1.4795	2.1798	2.3011
N3	2.8303	1.4795		1.1972	1.1940
O4	3.8760	2.1798	1.1972		2.1929
O5	2.9061	2.3011	1.1940	2.1929

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	114.858		O2	N3	O4	108.591
O2	N3	O5	118.401		O4	N3	O5	133.008

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

using model chemistry: B3LYP/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	0.220
2	O	-0.296
3	N	0.412
4	O	-0.164
5	O	-0.172

	x	y	z	Total
	-1.224	-1.032	0.000	1.601
CHELPG
AIM
ESP

	x	y	z
x	7.435	2.027	0.000
y	2.027	5.775	0.000
z	0.000	0.000	2.319

<r²>	187.258
(<r²>)^1/2	13.684

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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