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	hartrees
Energy at 0K	-2851.889556
Energy at 298.15K	-2851.895008
HF Energy	-2851.889556
Nuclear repulsion energy	334.833094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1823	1736	388.49
2	A'	1384	1318	319.10
3	A'	852	812	286.06
4	A'	795	757	0.85
5	A'	653	622	48.59
6	A'	413	394	0.55
7	A'	219	209	0.21
8	A"	763	727	11.92
9	A"	155	148	0.21

Atom	x (Å)	y (Å)
Br1	-1.129	-0.577
O2	0.000	0.870
N3	1.375	0.612
O4	1.981	1.646
O5	1.754	-0.525

	Br1	O2	N3	O4	O5
Br1		1.8353	2.7716	3.8222	2.8827
O2	1.8353		1.3985	2.1272	2.2411
N3	2.7716	1.3985		1.1978	1.1993
O4	3.8222	2.1272	1.1978		2.1827
O5	2.8827	2.2411	1.1993	2.1827

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	117.336		O2	N3	O4	109.793
O2	N3	O5	119.036		O4	N3	O5	131.170

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

using model chemistry: wB97X-D/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	0.218
2	O	-0.068
3	N	-0.016
4	O	-0.078
5	O	-0.056

	x	y	z	Total
	-1.761	-1.109	0.000	2.081
CHELPG
AIM
ESP

	x	y	z
x	8.234	1.779	0.000
y	1.779	6.856	0.000
z	0.000	0.000	3.799

<r²>	182.645
(<r²>)^1/2	13.515

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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