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	hartrees
Energy at 0K	-2851.932136
Energy at 298.15K	-2851.937420
HF Energy	-2851.932136
Nuclear repulsion energy	330.492641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1802	1732	275.54
2	A'	1350	1297	283.33
3	A'	819	787	207.75
4	A'	746	717	0.86
5	A'	573	551	61.29
6	A'	396	381	0.61
7	A'	210	202	0.02
8	A"	731	702	13.71
9	A"	127	122	0.30

Atom	x (Å)	y (Å)
Br1	-1.156	-0.544
O2	0.000	0.916
N3	1.427	0.562
O4	2.080	1.573
O5	1.730	-0.599

	Br1	O2	N3	O4	O5
Br1		1.8626	2.8106	3.8668	2.8862
O2	1.8626		1.4705	2.1808	2.2989
N3	2.8106	1.4705		1.2025	1.1997
O4	3.8668	2.1808	1.2025		2.1993
O5	2.8862	2.2989	1.1997	2.1993

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	114.461		O2	N3	O4	108.935
O2	N3	O5	118.500		O4	N3	O5	132.565

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

using model chemistry: B3LYP/6-31G**

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	0.238
2	O	-0.358
3	N	0.752
4	O	-0.308
5	O	-0.324

	x	y	z	Total
	-1.347	-0.996	0.000	1.675
CHELPG
AIM
ESP

	x	y	z
x	7.724	1.920	0.000
y	1.920	6.017	0.000
z	0.000	0.000	2.870

<r²>	186.008
(<r²>)^1/2	13.638

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

using model chemistry: B3LYP/6-31G**

States and conformations

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