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	hartrees
Energy at 0K	-2840.932709
Energy at 298.15K	-2840.937929
HF Energy	-2840.932709
Nuclear repulsion energy	329.572365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1509	1441	142.54
2	A'	1148	1096	259.65
3	A'	798	762	151.78
4	A'	766	732	1.55
5	A'	598	571	9.71
6	A'	388	370	0.00
7	A'	204	195	0.18
8	A"	649	620	12.04
9	A"	126	120	0.53

Atom	x (Å)	y (Å)
Br1	-1.171	-0.459
O2	0.000	0.956
N3	1.457	0.454
O4	2.225	1.420
O5	1.624	-0.768

	Br1	O2	N3	O4	O5
Br1		1.8362	2.7818	3.8809	2.8122
O2	1.8362		1.5406	2.2727	2.3681
N3	2.7818	1.5406		1.2342	1.2332
O4	3.8809	2.2727	1.2342		2.2689
O5	2.8122	2.3681	1.2332	2.2689

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	110.626		O2	N3	O4	109.481
O2	N3	O5	116.801		O4	N3	O5	133.719

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

using model chemistry: B1B95/3-21G*

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	0.211
2	O	-0.261
3	N	0.538
4	O	-0.237
5	O	-0.251

	x	y	z	Total
	-1.216	-0.983	0.000	1.563
CHELPG
AIM
ESP

	x	y	z
x	7.352	1.801	0.000
y	1.801	5.244	0.000
z	0.000	0.000	2.041

<r²>	184.798
(<r²>)^1/2	13.594

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

using model chemistry: B1B95/3-21G*

States and conformations

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