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	hartrees
Energy at 0K	-2852.173870
Energy at 298.15K	-2852.179247
HF Energy	-2852.173870
Nuclear repulsion energy	335.066650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1867	1782	305.51
2	A'	1398	1334	291.00
3	A'	847	809	236.00
4	A'	776	741	1.44
5	A'	621	592	54.50
6	A'	414	396	0.18
7	A'	217	207	0.06
8	A"	762	727	14.97
9	A"	128	122	0.26

Atom	x (Å)	y (Å)
Br1	-1.137	-0.540
O2	0.000	0.905
N3	1.398	0.560
O4	2.052	1.559
O5	1.697	-0.594

	Br1	O2	N3	O4	O5
Br1		1.8384	2.7633	3.8173	2.8345
O2	1.8384		1.4402	2.1535	2.2644
N3	2.7633	1.4402		1.1938	1.1920
O4	3.8173	2.1535	1.1938		2.1820
O5	2.8345	2.2644	1.1920	2.1820

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	114.334		O2	N3	O4	109.330
O2	N3	O5	118.383		O4	N3	O5	132.287

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

using model chemistry: B1B95/6-31G**

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	0.251
2	O	-0.372
3	N	0.775
4	O	-0.320
5	O	-0.334

	x	y	z	Total
	-1.475	-1.016	0.000	1.791
CHELPG
AIM
ESP

	x	y	z
x	7.367	1.826	0.000
y	1.826	5.909	0.000
z	0.000	0.000	2.870

<r²>	181.300
(<r²>)^1/2	13.465

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

using model chemistry: B1B95/6-31G**

States and conformations

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