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	hartrees
Energy at 0K	-2649.625535
Energy at 298.15K	-2649.629511
HF Energy	-2649.625535
Nuclear repulsion energy	94.091125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3842	3692	92.35
2	A'	1206	1159	44.00
3	A'	665	639	11.64

Atom	x (Å)	y (Å)
H1	-0.916	1.664
O2	0.021	1.442
Br3	0.021	-0.377

	H1	O2	Br3
H1		0.9634	2.2463
O2	0.9634		1.8191
Br3	2.2463	1.8191

Number	Element	Mulliken
1	H	0.224
2	O	-0.333
3	Br	0.109

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

using model chemistry: PBE1PBE/cc-pVTZ

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
	-1.478	0.020	0.000	1.478
CHELPG
AIM
ESP

	x	y	z
x	2.812	-0.191	0.000
y	-0.191	4.479	0.000
z	0.000	0.000	2.522

<r²>	39.670
(<r²>)^1/2	6.298