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	hartrees
Energy at 0K	-2840.094953
Energy at 298.15K	-2840.100182
HF Energy	-2840.094953
Nuclear repulsion energy	328.738689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1518	1457	140.04
2	A'	1151	1105	260.85
3	A'	797	765	149.16
4	A'	764	733	0.46
5	A'	593	569	11.51
6	A'	389	373	0.02
7	A'	210	201	0.15
8	A"	651	625	11.89
9	A"	127	122	0.51

Atom	x (Å)	y (Å)
Br1	-1.175	-0.462
O2	0.000	0.955
N3	1.462	0.458
O4	2.225	1.429
O5	1.635	-0.764

	Br1	O2	N3	O4	O5
Br1		1.8407	2.7924	3.8901	2.8255
O2	1.8407		1.5443	2.2750	2.3722
N3	2.7924	1.5443		1.2349	1.2337
O4	3.8901	2.2750	1.2349		2.2705
O5	2.8255	2.3722	1.2337	2.2705

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	110.861		O2	N3	O4	109.387
O2	N3	O5	116.842		O4	N3	O5	133.771

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

using model chemistry: HSEh1PBE/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	0.208
2	O	-0.260
3	N	0.543
4	O	-0.239
5	O	-0.253

	x	y	z	Total
	-1.179	-0.967	0.000	1.525
CHELPG
AIM
ESP

	x	y	z
x	7.416	1.817	0.000
y	1.817	5.260	0.000
z	0.000	0.000	2.048

<r²>	185.837
(<r²>)^1/2	13.632

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

using model chemistry: HSEh1PBE/3-21G*

States and conformations

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