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	hartrees
Energy at 0K	-2637.389609
Energy at 298.15K	-2637.393593
HF Energy	-2637.389609
Nuclear repulsion energy	92.205634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3533	3349	29.17
2	A'	1217	1153	52.95
3	A'	687	651	1.51

Atom	x (Å)	y (Å)
H1	-0.933	1.725
O2	0.022	1.472
Br3	0.022	-0.386

	H1	O2	Br3
H1		0.9880	2.3164
O2	0.9880		1.8572
Br3	2.3164	1.8572

Number	Element	Mulliken
1	H	0.384
2	O	-0.493
3	Br	0.109

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

using model chemistry: wB97X-D/3-21G*

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
	-1.795	-0.082	0.000	1.797
CHELPG
AIM
ESP

	x	y	z
x	2.103	-0.308	0.000
y	-0.308	3.871	0.000
z	0.000	0.000	1.582

<r²>	40.318
(<r²>)^1/2	6.350