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	hartrees
Energy at 0K	-2854.473327
Energy at 298.15K	-2854.478855
HF Energy	-2854.473327
Nuclear repulsion energy	337.734292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1829	1747	433.42
2	A'	1397	1334	317.63
3	A'	876	836	289.18
4	A'	825	788	1.58
5	A'	669	639	56.26
6	A'	436	416	0.78
7	A'	236	226	0.24
8	A"	799	763	15.32
9	A"	143	136	0.21

Atom	x (Å)	y (Å)
Br1	-1.132	-0.529
O2	0.000	0.888
N3	1.391	0.552
O4	2.047	1.538
O5	1.689	-0.595

	Br1	O2	N3	O4	O5
Br1		1.8135	2.7452	3.7924	2.8222
O2	1.8135		1.4312	2.1482	2.2475
N3	2.7452	1.4312		1.1845	1.1848
O4	3.7924	2.1482	1.1845		2.1627
O5	2.8222	2.2475	1.1848	2.1627

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	115.065		O2	N3	O4	110.068
O2	N3	O5	118.131		O4	N3	O5	131.801

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

using model chemistry: M06-2X/cc-pVTZ

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	0.199
2	O	-0.246
3	N	0.487
4	O	-0.217
5	O	-0.223

	x	y	z	Total
	-1.704	-1.036	0.000	1.994
CHELPG
AIM
ESP

	x	y	z
x	7.633	1.749	0.000
y	1.749	6.325	0.000
z	0.000	0.000	3.314

<r²>	179.730
(<r²>)^1/2	13.406

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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