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	hartrees
Energy at 0K	-2649.548297
Energy at 298.15K	-2649.552242
HF Energy	-2649.548297
Nuclear repulsion energy	92.283981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3665	3641	75.05
2	A'	1148	1141	44.45
3	A'	616	612	11.56

Atom	x (Å)	y (Å)
H1	-0.932	1.681
O2	0.022	1.472
Br3	0.022	-0.385

	H1	O2	Br3
H1		0.9763	2.2750
O2	0.9763		1.8566
Br3	2.2750	1.8566

Number	Element	Mulliken
1	H	0.212
2	O	-0.473
3	Br	0.261

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

using model chemistry: PBEPBE/aug-cc-pVTZ

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
	-1.371	0.018	0.000	1.371
CHELPG
AIM
ESP

	x	y	z
x	4.046	-0.159	0.000
y	-0.159	5.499	0.000
z	0.000	0.000	3.922

<r²>	40.927
(<r²>)^1/2	6.397