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	hartrees
Energy at 0K	-2853.133476
Energy at 298.15K	-2853.138593
HF Energy	-2853.133476
Nuclear repulsion energy	326.586960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1770	1740	289.70
2	A'	1306	1283	289.50
3	A'	773	759	155.58
4	A'	700	688	2.27
5	A'	467	459	62.02
6	A'	357	351	14.90
7	A'	181	178	0.14
8	A"	682	671	7.12
9	A"	158	155	0.53

Atom	x (Å)	y (Å)
Br1	-1.189	-0.513
O2	0.000	0.912
N3	1.488	0.518
O4	2.138	1.532
O5	1.761	-0.652

	Br1	O2	N3	O4	O5
Br1		1.8556	2.8682	3.9053	2.9526
O2	1.8556		1.5389	2.2265	2.3546
N3	2.8682	1.5389		1.2044	1.2012
O4	3.9053	2.2265	1.2044		2.2158
O5	2.9526	2.3546	1.2012	2.2158

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	118.965		O2	N3	O4	108.523
O2	N3	O5	119.955		O4	N3	O5	131.522

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

using model chemistry: B97D3/6-31+G**

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	0.177
2	O	-0.060
3	N	-0.123
4	O	-0.008
5	O	0.014

	x	y	z	Total
	-0.988	-0.946	0.000	1.368
CHELPG
AIM
ESP

	x	y	z
x	9.814	1.948	0.000
y	1.948	7.090	0.000
z	0.000	0.000	3.998

<r²>	190.998
(<r²>)^1/2	13.820

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

using model chemistry: B97D3/6-31+G**

States and conformations

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