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	hartrees
Energy at 0K	-2649.918091
Energy at 298.15K	-2649.922050
HF Energy	-2649.918091
Nuclear repulsion energy	93.031119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3748	3629	74.17
2	A'	1190	1153	43.06
3	A'	635	615	8.98

Atom	x (Å)	y (Å)
H1	-0.919	1.679
O2	0.021	1.455
Br3	0.021	-0.381

	H1	O2	Br3
H1		0.9673	2.2647
O2	0.9673		1.8355
Br3	2.2647	1.8355

Number	Element	Mulliken
1	H	0.230
2	O	-0.332
3	Br	0.102

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

using model chemistry: TPSSh/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
	-1.462	0.038	0.000	1.462
CHELPG
AIM
ESP

	x	y	z
x	2.845	-0.202	0.000
y	-0.202	4.598	0.000
z	0.000	0.000	2.533

<r²>	40.230
(<r²>)^1/2	6.343