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	hartrees
Energy at 0K	-2853.783990
Energy at 298.15K	-2853.778192
HF Energy	-2854.124473
Nuclear repulsion energy	332.686010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1801	1738	295.19
2	A'	1345	1298	260.15
3	A'	819	790	177.75
4	A'	769	742	11.76
5	A'	568	548	76.88
6	A'	409	395	2.01
7	A'	217	209	0.03
8	A"	745	719	10.98
9	A"	135	130	0.13

Atom	x (Å)	y (Å)
Br1	-1.152	-0.503
O2	0.000	0.897
N3	1.427	0.514
O4	2.098	1.502
O5	1.692	-0.649

	Br1	O2	N3	O4	O5
Br1		1.8132	2.7721	3.8186	2.8475
O2	1.8132		1.4774	2.1835	2.2921
N3	2.7721	1.4774		1.1941	1.1931
O4	3.8186	2.1835	1.1941		2.1888
O5	2.8475	2.2921	1.1931	2.1888

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	116.824		O2	N3	O4	109.431
O2	N3	O5	119.278		O4	N3	O5	131.291

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

using model chemistry: G4

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	0.284
2	O	-0.423
3	N	0.755
4	O	-0.314
5	O	-0.301

	x	y	z	Total
	-1.134	-0.755	0.000	1.363
CHELPG
AIM
ESP

<r²>	181.756
(<r²>)^1/2	13.482

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

using model chemistry: G4

States and conformations

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