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	hartrees
Energy at 0K	-3102.689597
Energy at 298.15K
HF Energy	-3102.689597
Nuclear repulsion energy	227.896544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	655	643	27.76
2	A'	571	560	15.83
3	A'	235	231	0.15

Atom	x (Å)	y (Å)
O1	0.000	1.001
Br2	-0.826	-0.665
Cl3	1.701	0.898

	O1	Br2	Cl3
O1		1.8593	1.7038
Br2	1.8593		2.9714
Cl3	1.7038	2.9714

Number	Element	Mulliken
1	O	-0.404
2	Br	0.189
3	Cl	0.216

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

using model chemistry: LSDA/6-31G*

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
	0.154	-0.892	0.000	0.906
CHELPG
AIM
ESP

	x	y	z
x	6.719	2.090	0.000
y	2.090	4.778	0.000
z	0.000	0.000	2.814

<r²>	131.737
(<r²>)^1/2	11.478