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	hartrees
Energy at 0K	-2647.238168
Energy at 298.15K	-2647.242155
HF Energy	-2647.238168
Nuclear repulsion energy	95.026222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3849	3684	86.93
2	A'	1207	1155	51.85
3	A'	692	662	12.41

Atom	x (Å)	y (Å)
H1	-0.915	1.654
O2	0.021	1.426
Br3	0.021	-0.373

	H1	O2	Br3
H1		0.9639	2.2335
O2	0.9639		1.7994
Br3	2.2335	1.7994

Number	Element	Mulliken
1	H	0.345
2	O	-0.554
3	Br	0.209

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

using model chemistry: PBE1PBE/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
	-1.432	0.240	0.000	1.452
CHELPG
AIM
ESP

	x	y	z
x	3.164	-0.205	0.000
y	-0.205	4.504	0.000
z	0.000	0.000	2.925

<r²>	38.938
(<r²>)^1/2	6.240