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	hartrees
Energy at 0K	-2840.372829
Energy at 298.15K	-2840.378113
HF Energy	-2840.372829
Nuclear repulsion energy	326.672771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1517	1454	158.13
2	A'	1174	1125	304.35
3	A'	860	825	143.76
4	A'	753	722	21.47
5	A'	633	607	3.69
6	A'	397	380	0.26
7	A'	228	218	0.28
8	A"	678	650	18.97
9	A"	104	100	0.70

Atom	x (Å)	y (Å)
Br1	-1.173	-0.511
O2	0.000	0.940
N3	1.445	0.524
O4	2.174	1.529
O5	1.694	-0.691

	Br1	O2	N3	O4	O5
Br1		1.8658	2.8150	3.9196	2.8723
O2	1.8658		1.5033	2.2524	2.3516
N3	2.8150	1.5033		1.2412	1.2410
O4	3.9196	2.2524	1.2412		2.2715
O5	2.8723	2.3516	1.2410	2.2715

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	112.903		O2	N3	O4	109.944
O2	N3	O5	117.623		O4	N3	O5	132.433

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

using model chemistry: M06-2X/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	0.321
2	O	-0.363
3	N	0.557
4	O	-0.244
5	O	-0.271

	x	y	z	Total
	-1.635	-1.139	0.000	1.993
CHELPG
AIM
ESP

	x	y	z
x	6.523	2.156	0.000
y	2.156	5.031	0.000
z	0.000	0.000	1.074

<r²>	189.120
(<r²>)^1/2	13.752

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

using model chemistry: M06-2X/3-21G

States and conformations

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