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	hartrees
Energy at 0K	-2651.214364
Energy at 298.15K	-2651.218300
HF Energy	-2651.214364
Nuclear repulsion energy	92.169190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3716	3668	72.28
2	A'	1164	1148	44.82
3	A'	599	591	10.34

Atom	x (Å)	y (Å)
H1	-0.926	1.685
O2	0.022	1.475
Br3	0.022	-0.385

	H1	O2	Br3
H1		0.9703	2.2765
O2	0.9703		1.8598
Br3	2.2765	1.8598

Number	Element	Mulliken
1	H	0.246
2	O	-0.405
3	Br	0.159

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

using model chemistry: B97D3/6-311+G(3df,2p)

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
	-1.394	-0.013	0.000	1.394
CHELPG
AIM
ESP

	x	y	z
x	3.750	-0.138	0.000
y	-0.138	5.305	0.000
z	0.000	0.000	3.649

<r²>	40.850
(<r²>)^1/2	6.391