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	hartrees
Energy at 0K	-2646.741645
Energy at 298.15K	-2646.745589
HF Energy	-2646.741645
Nuclear repulsion energy	92.714833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3699	3653	90.55
2	A'	1117	1103	46.91
3	A'	623	615	6.27

Atom	x (Å)	y (Å)
H1	-0.934	1.667
O2	0.022	1.465
Br3	0.022	-0.383

	H1	O2	Br3
H1		0.9765	2.2615
O2	0.9765		1.8477
Br3	2.2615	1.8477

Number	Element	Mulliken
1	H	0.294
2	O	-0.437
3	Br	0.143

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

using model chemistry: LSDA/6-311G**

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
	-1.689	-0.160	0.000	1.697
CHELPG
AIM
ESP

	x	y	z
x	2.180	-0.225	0.000
y	-0.225	4.005	0.000
z	0.000	0.000	1.791

<r²>	40.448
(<r²>)^1/2	6.360