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	hartrees
Energy at 0K	-88.291967
Energy at 298.15K	-88.295938
HF Energy	-88.291967
Nuclear repulsion energy	21.681023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4009	3607	101.13
2	A'	1252	1126	27.36
3	A'	658	592	0.67

Atom	x (Å)	y (Å)
H1	-0.884	1.813
O2	0.021	1.493
Br3	0.021	-0.393

	H1	O2	Br3
H1		0.9594	2.3846
O2	0.9594		1.8857
Br3	2.3846	1.8857

Number	Element	Mulliken
1	H	0.427
2	O	-0.703
3	Br	0.275

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

using model chemistry: HF/LANL2DZ

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
	-2.206	-0.570	0.000	2.279
CHELPG
AIM
ESP

	x	y	z
x	0.802	-0.311	0.000
y	-0.311	4.841	0.000
z	0.000	0.000	0.224

<r²>	35.716
(<r²>)^1/2	5.976