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	hartrees
Energy at 0K	-2822.425872
Energy at 298.15K	-2822.430974
HF Energy	-2822.425872
Nuclear repulsion energy	327.214737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1767	1767	41.49
2	A'	1329	1329	133.71
3	A'	937	937	53.02
4	A'	861	861	21.68
5	A'	581	581	8.77
6	A'	391	391	0.38
7	A'	243	243	0.26
8	A"	558	558	5.66
9	A"	143	143	0.00

Atom	x (Å)	y (Å)
Br1	-1.165	-0.461
O2	0.000	0.983
N3	1.421	0.464
O4	2.261	1.437
O5	1.592	-0.808

	Br1	O2	N3	O4	O5
Br1		1.8559	2.7463	3.9168	2.7784
O2	1.8559		1.5125	2.3063	2.3963
N3	2.7463	1.5125		1.2852	1.2837
O4	3.9168	2.3063	1.2852		2.3421
O5	2.7784	2.3963	1.2837	2.3421

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	108.809		O2	N3	O4	110.788
O2	N3	O5	117.730		O4	N3	O5	131.482

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

using model chemistry: M06-2X/STO-3G

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	0.121
2	O	-0.100
3	N	0.182
4	O	-0.097
5	O	-0.106

	x	y	z	Total
	-0.899	-0.206	0.000	0.922
CHELPG
AIM
ESP

	x	y	z
x	4.793	1.640	0.000
y	1.640	3.460	0.000
z	0.000	0.000	0.453

<r²>	183.765
(<r²>)^1/2	13.556

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

using model chemistry: M06-2X/STO-3G

States and conformations

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