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	hartrees
Energy at 0K	-2840.781450
Energy at 298.15K	-2840.786678
HF Energy	-2840.781450
Nuclear repulsion energy	328.854949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1514	1437	140.94
2	A'	1150	1092	262.13
3	A'	799	758	149.52
4	A'	765	727	1.03
5	A'	595	565	10.61
6	A'	389	369	0.01
7	A'	209	199	0.16
8	A"	651	618	11.97
9	A"	125	119	0.52

Atom	x (Å)	y (Å)
Br1	-1.174	-0.462
O2	0.000	0.954
N3	1.460	0.458
O4	2.224	1.429
O5	1.635	-0.764

	Br1	O2	N3	O4	O5
Br1		1.8392	2.7904	3.8890	2.8258
O2	1.8392		1.5419	2.2743	2.3715
N3	2.7904	1.5419		1.2355	1.2344
O4	3.8890	2.2743	1.2355		2.2706
O5	2.8258	2.3715	1.2344	2.2706

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	110.930		O2	N3	O4	109.444
O2	N3	O5	116.910		O4	N3	O5	133.645

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

using model chemistry: mPW1PW91/3-21G*

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	0.212
2	O	-0.262
3	N	0.543
4	O	-0.240
5	O	-0.254

	x	y	z	Total
	-1.212	-0.974	0.000	1.555
CHELPG
AIM
ESP

	x	y	z
x	7.389	1.813	0.000
y	1.813	5.261	0.000
z	0.000	0.000	2.043

<r²>	185.714
(<r²>)^1/2	13.628

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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