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	hartrees
Energy at 0K	-2636.972945
Energy at 298.15K	-2636.976920
HF Energy	-2636.972945
Nuclear repulsion energy	91.929378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3472	3332	24.20
2	A'	1202	1154	51.31
3	A'	670	643	1.25

Atom	x (Å)	y (Å)
H1	-0.953	1.691
O2	0.022	1.475
Br3	0.022	-0.386

	H1	O2	Br3
H1		0.9989	2.2938
O2	0.9989		1.8610
Br3	2.2938	1.8610

Number	Element	Mulliken
1	H	0.381
2	O	-0.482
3	Br	0.101

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

using model chemistry: HSEh1PBE/3-21G*

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
	-1.768	-0.047	0.000	1.768
CHELPG
AIM
ESP

	x	y	z
x	2.126	-0.318	0.000
y	-0.318	3.883	0.000
z	0.000	0.000	1.578

<r²>	40.475
(<r²>)^1/2	6.362