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	hartrees
Energy at 0K	-2647.464826
Energy at 298.15K	-2647.468774
HF Energy	-2647.464826
Nuclear repulsion energy	91.766954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3718	3570	59.78
2	A'	1217	1169	49.05
3	A'	621	596	4.74

Atom	x (Å)	y (Å)
H1	-0.932	1.683
O2	0.022	1.482
Br3	0.022	-0.387

	H1	O2	Br3
H1		0.9747	2.2788
O2	0.9747		1.8686
Br3	2.2788	1.8686

Number	Element	Mulliken
1	H	0.428
2	O	-0.574
3	Br	0.146

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

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.599	-0.105	0.000	1.602
CHELPG
AIM
ESP

	x	y	z
x	2.460	-0.238	0.000
y	-0.238	4.237	0.000
z	0.000	0.000	2.073

<r²>	40.790
(<r²>)^1/2	6.387