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	hartrees
Energy at 0K	-2649.504881
Energy at 298.15K	-2649.508843
HF Energy	-2649.504881
Nuclear repulsion energy	92.554985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3785	3641	86.99
2	A'	1182	1137	39.89
3	A'	643	618	3.88

Atom	x (Å)	y (Å)
H1	-0.929	1.668
O2	0.022	1.469
Br3	0.022	-0.383

	H1	O2	Br3
H1		0.9713	2.2607
O2	0.9713		1.8520
Br3	2.2607	1.8520

Number	Element	Mulliken
1	H	0.201
2	O	-0.330
3	Br	0.130

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

using model chemistry: HSEh1PBE/cc-pVDZ

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
	-1.576	-0.142	0.000	1.582
CHELPG
AIM
ESP

	x	y	z
x	2.070	-0.239	0.000
y	-0.239	4.037	0.000
z	0.000	0.000	1.678

<r²>	40.349
(<r²>)^1/2	6.352