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	hartrees
Energy at 0K	-2647.220344
Energy at 298.15K	-2647.224329
HF Energy	-2647.220344
Nuclear repulsion energy	94.893074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3844	3682	86.55
2	A'	1206	1155	51.65
3	A'	687	658	12.20

Atom	x (Å)	y (Å)
H1	-0.915	1.657
O2	0.021	1.428
Br3	0.021	-0.374

	H1	O2	Br3
H1		0.9639	2.2363
O2	0.9639		1.8021
Br3	2.2363	1.8021

Number	Element	Mulliken
1	H	0.344
2	O	-0.549
3	Br	0.205

All results from a given calculation for HOBr (Hypobromous acid)

using model chemistry: HSEh1PBE/6-31G(2df,p)

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.430	0.231	0.000	1.449
CHELPG
AIM
ESP

	x	y	z
x	3.176	-0.206	0.000
y	-0.206	4.521	0.000
z	0.000	0.000	2.936

<r²>	39.017
(<r²>)^1/2	6.246