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	hartrees
Energy at 0K	-2854.654408
Energy at 298.15K	-2854.659781
HF Energy	-2854.654408
Nuclear repulsion energy	334.148008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1874	1801	316.64
2	A'	1398	1344	303.03
3	A'	846	813	236.23
4	A'	776	745	1.10
5	A'	605	582	75.94
6	A'	414	398	0.43
7	A'	216	208	0.00
8	A"	765	735	16.31
9	A"	124	119	0.48

Atom	x (Å)	y (Å)
Br1	-1.141	-0.547
O2	0.000	0.905
N3	1.409	0.568
O4	2.047	1.570
O5	1.711	-0.579

	Br1	O2	N3	O4	O5
Br1		1.8467	2.7826	3.8265	2.8518
O2	1.8467		1.4486	2.1522	2.2651
N3	2.7826	1.4486		1.1880	1.1863
O4	3.8265	2.1522	1.1880		2.1752
O5	2.8518	2.2651	1.1863	2.1752

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	114.683		O2	N3	O4	109.029
O2	N3	O5	118.224		O4	N3	O5	132.746

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

using model chemistry: B1B95/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	0.234
2	O	-0.305
3	N	0.430
4	O	-0.175
5	O	-0.183

	x	y	z	Total
	-1.359	-1.064	0.000	1.726
CHELPG
AIM
ESP

	x	y	z
x	7.079	1.937	0.000
y	1.937	5.678	0.000
z	0.000	0.000	2.326

<r²>	182.489
(<r²>)^1/2	13.509

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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