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	hartrees
Energy at 0K	-2840.049084
Energy at 298.15K	-2840.054124
HF Energy	-2840.049084
Nuclear repulsion energy	323.054893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1451	1383	94.55
2	A'	1092	1041	225.21
3	A'	743	709	85.99
4	A'	706	673	1.94
5	A'	532	508	5.85
6	A'	352	335	0.11
7	A'	185	177	0.09
8	A"	586	559	6.36
9	A"	135	129	0.46

Atom	x (Å)	y (Å)
Br1	-1.202	-0.436
O2	0.000	0.980
N3	1.509	0.418
O4	2.303	1.392
O5	1.637	-0.830

	Br1	O2	N3	O4	O5
Br1		1.8579	2.8425	3.9537	2.8670
O2	1.8579		1.6099	2.3398	2.4413
N3	2.8425	1.6099		1.2568	1.2553
O4	3.9537	2.3398	1.2568		2.3200
O5	2.8670	2.4413	1.2553	2.3200

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	109.897		O2	N3	O4	108.789
O2	N3	O5	116.318		O4	N3	O5	134.893

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

using model chemistry: PBEPBE/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	0.177
2	O	-0.223
3	N	0.465
4	O	-0.205
5	O	-0.214

	x	y	z	Total
	-0.873	-0.852	0.000	1.219
CHELPG
AIM
ESP

	x	y	z
x	8.319	1.868	0.000
y	1.868	5.333	0.000
z	0.000	0.000	2.082

<r²>	191.100
(<r²>)^1/2	13.824

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

using model chemistry: PBEPBE/3-21G*

States and conformations

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