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	hartrees
Energy at 0K	-2854.349007
Energy at 298.15K	-2854.354532
HF Energy	-2854.349007
Nuclear repulsion energy	336.105173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1836	1836	413.63
2	A'	1406	1406	304.49
3	A'	871	871	276.53
4	A'	825	825	0.72
5	A'	668	668	43.59
6	A'	434	434	0.67
7	A'	236	236	0.28
8	A"	790	790	12.29
9	A"	144	144	0.11

Atom	x (Å)	y (Å)
Br1	-1.133	-0.542
O2	0.000	0.899
N3	1.389	0.566
O4	2.044	1.561
O5	1.696	-0.583

	Br1	O2	N3	O4	O5
Br1		1.8327	2.7543	3.8100	2.8291
O2	1.8327		1.4279	2.1489	2.2523
N3	2.7543	1.4279		1.1911	1.1900
O4	3.8100	2.1489	1.1911		2.1721
O5	2.8291	2.2523	1.1900	2.1721

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	114.715		O2	N3	O4	109.944
O2	N3	O5	118.426		O4	N3	O5	131.630

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

using model chemistry: M06-2X/aug-cc-pVDZ

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	0.433
2	O	-0.585
3	N	0.989
4	O	-0.449
5	O	-0.388

	x	y	z	Total
	-1.680	-0.995	0.000	1.953
CHELPG
AIM
ESP

	x	y	z
x	8.556	1.716	0.000
y	1.716	7.155	0.000
z	0.000	0.000	4.369

<r²>	181.215
(<r²>)^1/2	13.462

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

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