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	hartrees
Energy at 0K	-2854.327041
Energy at 298.15K	-2854.332356
HF Energy	-2854.327041
Nuclear repulsion energy	332.073354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1833	1765	330.13
2	A'	1368	1317	308.51
3	A'	839	808	225.36
4	A'	758	730	0.68
5	A'	581	559	84.82
6	A'	403	388	0.86
7	A'	208	200	0.01
8	A"	753	725	13.84
9	A"	125	121	0.58

Atom	x (Å)	y (Å)
Br1	-1.152	-0.548
O2	0.000	0.903
N3	1.426	0.568
O4	2.058	1.575
O5	1.735	-0.578

	Br1	O2	N3	O4	O5
Br1		1.8531	2.8096	3.8486	2.8878
O2	1.8531		1.4652	2.1647	2.2817
N3	2.8096	1.4652		1.1889	1.1869
O4	3.8486	2.1647	1.1889		2.1773
O5	2.8878	2.2817	1.1869	2.1773

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	115.214		O2	N3	O4	108.850
O2	N3	O5	118.332		O4	N3	O5	132.818

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

using model chemistry: B3PW91/6-311G*

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	0.248
2	O	-0.324
3	N	0.479
4	O	-0.197
5	O	-0.207

	x	y	z	Total
	-1.326	-1.094	0.000	1.719
CHELPG
AIM
ESP

	x	y	z
x	7.525	2.006	0.000
y	2.006	5.910	0.000
z	0.000	0.000	2.456

<r²>	185.171
(<r²>)^1/2	13.608

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

using model chemistry: B3PW91/6-311G*

States and conformations

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