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	hartrees
Energy at 0K	-3104.284021
Energy at 298.15K
HF Energy	-3104.284021
Nuclear repulsion energy	236.248313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	894	810	15.59
2	A'	680	616	7.45
3	A'	278	252	0.15

Atom	x (Å)	y (Å)
O1	0.000	0.943
Br2	-0.802	-0.639
Cl3	1.652	0.873

	O1	Br2	Cl3
O1		1.7744	1.6536
Br2	1.7744		2.8828
Cl3	1.6536	2.8828

Number	Element	Mulliken
1	O	-0.588
2	Br	0.416
3	Cl	0.172

All results from a given calculation for BrOCl (Bromine hypochlorite)

using model chemistry: HF/6-31G(2df,p)

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
	0.085	-0.892	0.000	0.896
CHELPG
AIM
ESP

	x	y	z
x	6.702	1.590	0.000
y	1.590	5.120	0.000
z	0.000	0.000	3.778

<r²>	125.019
(<r²>)^1/2	11.181