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	hartrees
Energy at 0K	-2644.131617
Energy at 298.15K	-2644.135553
HF Energy	-2644.131617
Nuclear repulsion energy	89.069039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3475	3404	38.59
2	A'	1144	1121	50.26
3	A'	609	596	0.76

Atom	x (Å)	y (Å)
H1	-0.952	1.741
O2	0.022	1.527
Br3	0.022	-0.399

	H1	O2	Br3
H1		0.9977	2.3515
O2	0.9977		1.9255
Br3	2.3515	1.9255

Number	Element	Mulliken
1	H	0.402
2	O	-0.609
3	Br	0.207

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

using model chemistry: LSDA/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
	-2.037	-0.281	0.000	2.056
CHELPG
AIM
ESP

	x	y	z
x	1.414	-0.302	0.000
y	-0.302	3.992	0.000
z	0.000	0.000	0.738

<r²>	42.651
(<r²>)^1/2	6.531