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	hartrees
Energy at 0K	-2647.342285
Energy at 298.15K	-2647.346235
HF Energy	-2647.342285
Nuclear repulsion energy	92.045201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3748	3594	59.17
2	A'	1182	1133	48.88
3	A'	628	602	4.92

Atom	x (Å)	y (Å)
H1	-0.933	1.670
O2	0.022	1.478
Br3	0.022	-0.385

	H1	O2	Br3
H1		0.9740	2.2665
O2	0.9740		1.8631
Br3	2.2665	1.8631

Number	Element	Mulliken
1	H	0.355
2	O	-0.492
3	Br	0.136

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

using model chemistry: TPSSh/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
	-1.589	-0.108	0.000	1.593
CHELPG
AIM
ESP

	x	y	z
x	2.490	-0.235	0.000
y	-0.235	4.235	0.000
z	0.000	0.000	2.106

<r²>	40.579
(<r²>)^1/2	6.370