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	hartrees
Energy at 0K	-2646.982833
Energy at 298.15K	-2646.986771
HF Energy	-2646.982833
Nuclear repulsion energy	91.262710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3608	3556	50.33
2	A'	1184	1167	49.88
3	A'	608	599	4.94

Atom	x (Å)	y (Å)
H1	-0.945	1.675
O2	0.022	1.491
Br3	0.022	-0.389

	H1	O2	Br3
H1		0.9840	2.2784
O2	0.9840		1.8796
Br3	2.2784	1.8796

Number	Element	Mulliken
1	H	0.421
2	O	-0.546
3	Br	0.125

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

using model chemistry: PBEPBE/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
	-1.567	-0.041	0.000	1.567
CHELPG
AIM
ESP

	x	y	z
x	2.520	-0.232	0.000
y	-0.232	4.212	0.000
z	0.000	0.000	2.114

<r²>	41.045
(<r²>)^1/2	6.407