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	hartrees
Energy at 0K	-2619.029396
Energy at 298.15K	-2619.033429
HF Energy	-2619.029396
Nuclear repulsion energy	93.396807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4187	3418	23.70
2	A'	1500	1225	10.91
3	A'	863	705	7.03

Atom	x (Å)	y (Å)
H1	-0.954	1.661
O2	0.022	1.451
Br3	0.022	-0.379

	H1	O2	Br3
H1		0.9984	2.2616
O2	0.9984		1.8300
Br3	2.2616	1.8300

Number	Element	Mulliken
1	H	0.198
2	O	-0.249
3	Br	0.051

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

using model chemistry: HF/STO-3G

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
	-1.446	0.482	0.000	1.524
CHELPG
AIM
ESP

	x	y	z
x	0.656	-0.457	0.000
y	-0.457	2.661	0.000
z	0.000	0.000	0.107

<r²>	38.646
(<r²>)^1/2	6.217