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	hartrees
Energy at 0K	-2647.684908
Energy at 298.15K	-2647.688906
HF Energy	-2647.684908
Nuclear repulsion energy	95.149479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3868	3684	101.81
2	A'	1224	1166	51.40
3	A'	714	680	12.53

Atom	x (Å)	y (Å)
H1	-0.915	1.651
O2	0.021	1.421
Br3	0.021	-0.372

	H1	O2	Br3
H1		0.9642	2.2287
O2	0.9642		1.7925
Br3	2.2287	1.7925

Number	Element	Mulliken
1	H	0.355
2	O	-0.591
3	Br	0.236

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

using model chemistry: M06-2X/6-31G(2df,p)

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
	-1.454	0.216	0.000	1.470
CHELPG
AIM
ESP

	x	y	z
x	3.119	-0.217	0.000
y	-0.217	4.481	0.000
z	0.000	0.000	2.857

<r²>	38.966
(<r²>)^1/2	6.242