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	hartrees
Energy at 0K	-2647.051537
Energy at 298.15K	-2647.055503
HF Energy	-2647.051537
Nuclear repulsion energy	92.944037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3786	3598	74.98
2	A'	1235	1174	50.25
3	A'	651	619	6.30

Atom	x (Å)	y (Å)
H1	-0.927	1.667
O2	0.022	1.462
Br3	0.022	-0.382

	H1	O2	Br3
H1		0.9708	2.2575
O2	0.9708		1.8434
Br3	2.2575	1.8434

Number	Element	Mulliken
1	H	0.444
2	O	-0.592
3	Br	0.148

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

using model chemistry: PBE1PBE/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
	-1.621	-0.057	0.000	1.622
CHELPG
AIM
ESP

	x	y	z
x	2.444	-0.218	0.000
y	-0.218	4.130	0.000
z	0.000	0.000	2.088

<r²>	40.097
(<r²>)^1/2	6.332