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	hartrees
Energy at 0K	-2620.201936
Energy at 298.15K	-2620.205898
HF Energy	-2620.201936
Nuclear repulsion energy	89.409402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3531	3226	39.10
2	A'	1281	1171	15.68
3	A'	724	661	1.40

Atom	x (Å)	y (Å)
H1	-1.015	1.664
O2	0.024	1.521
Br3	0.024	-0.395

	H1	O2	Br3
H1		1.0485	2.3062
O2	1.0485		1.9158
Br3	2.3062	1.9158

Number	Element	Mulliken
1	H	0.173
2	O	-0.192
3	Br	0.019

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

using model chemistry: PBEPBE/STO-3G

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
	-1.267	0.455	0.000	1.346
CHELPG
AIM
ESP

	x	y	z
x	0.712	-0.377	0.000
y	-0.377	2.552	0.000
z	0.000	0.000	0.087

<r²>	40.799
(<r²>)^1/2	6.387