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	hartrees
Energy at 0K	-2852.202389
Energy at 298.15K	-2852.207800
HF Energy	-2852.202389
Nuclear repulsion energy	335.124055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1841	1761	367.43
2	A'	1384	1324	304.33
3	A'	835	798	244.97
4	A'	780	746	4.06
5	A'	619	592	68.46
6	A'	412	394	0.59
7	A'	211	202	0.10
8	A"	762	729	11.40
9	A"	156	149	0.24

Atom	x (Å)	y (Å)
Br1	-1.139	-0.539
O2	0.000	0.891
N3	1.402	0.562
O4	2.044	1.568
O5	1.710	-0.591

	Br1	O2	N3	O4	O5
Br1		1.8282	2.7687	3.8175	2.8493
O2	1.8282		1.4399	2.1536	2.2628
N3	2.7687	1.4399		1.1941	1.1929
O4	3.8175	2.1536	1.1941		2.1845
O5	2.8493	2.2628	1.1929	2.1845

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	115.302		O2	N3	O4	109.339
O2	N3	O5	118.203		O4	N3	O5	132.458

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

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

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	-0.060
3	N	-0.022
4	O	-0.076
5	O	-0.050

	x	y	z	Total
	-1.608	-1.058	0.000	1.925
CHELPG
AIM
ESP

	x	y	z
x	8.399	1.816	0.000
y	1.816	6.815	0.000
z	0.000	0.000	3.793

<r²>	182.176
(<r²>)^1/2	13.497

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

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

States and conformations

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