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	hartrees
Energy at 0K	-29.319009
Energy at 298.15K	-29.322994
HF Energy	-29.319009
Nuclear repulsion energy	16.704662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3977	3629	85.10
2	A'	1264	1154	25.91
3	A'	670	612	2.20

Atom	x (Å)	y (Å)
H1	-0.888	1.793
O2	0.021	1.488
Br3	0.021	-0.391

	H1	O2	Br3
H1		0.9589	2.3661
O2	0.9589		1.8791
Br3	2.3661	1.8791

Number	Element	Mulliken
1	H	0.394
2	O	-0.696
3	Br	0.302

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

using model chemistry: HF/CEP-121G

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
	-2.160	-0.524	0.000	2.222
CHELPG
AIM
ESP

	x	y	z
x	1.163	-0.302	0.000
y	-0.302	4.873	0.000
z	0.000	0.000	0.690

<r²>	30.953
(<r²>)^1/2	5.564