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	hartrees
Energy at 0K	-2850.214378
Energy at 298.15K	-2850.219680
HF Energy	-2850.214378
Nuclear repulsion energy	333.563272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1857	1837	227.33
2	A'	1365	1350	244.48
3	A'	812	803	163.44
4	A'	736	728	0.00
5	A'	548	542	47.71
6	A'	405	400	1.30
7	A'	204	202	0.06
8	A"	729	721	11.41
9	A"	144	142	0.42

Atom	x (Å)	y (Å)
Br1	-1.145	-0.530
O2	0.000	0.916
N3	1.420	0.542
O4	2.070	1.546
O5	1.695	-0.618

	Br1	O2	N3	O4	O5
Br1		1.8442	2.7798	3.8266	2.8408
O2	1.8442		1.4690	2.1636	2.2861
N3	2.7798	1.4690		1.1962	1.1917
O4	3.8266	2.1636	1.1962		2.1964
O5	2.8408	2.2861	1.1917	2.1964

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	113.588		O2	N3	O4	108.110
O2	N3	O5	118.086		O4	N3	O5	133.804

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

using model chemistry: LSDA/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	0.197
2	O	-0.256
3	N	0.313
4	O	-0.126
5	O	-0.128

	x	y	z	Total
	-1.064	-0.931	0.000	1.414
CHELPG
AIM
ESP

	x	y	z
x	7.652	2.031	0.000
y	2.031	5.680	0.000
z	0.000	0.000	2.337

<r²>	182.340
(<r²>)^1/2	13.503

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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