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	hartrees
Energy at 0K	-3102.875098
Energy at 298.15K
HF Energy	-3102.875098
Nuclear repulsion energy	232.442580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	666	655	18.62
2	A'	614	604	3.92
3	A'	241	237	0.09

Atom	x (Å)	y (Å)
O1	0.000	0.970
Br2	-0.819	-0.640
Cl3	1.686	0.862

	O1	Br2	Cl3
O1		1.8063	1.6891
Br2	1.8063		2.9207
Cl3	1.6891	2.9207

Number	Element	Mulliken
1	O	-0.316
2	Br	0.238
3	Cl	0.078

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

using model chemistry: LSDA/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
	0.043	-0.684	0.000	0.685
CHELPG
AIM
ESP

	x	y	z
x	7.438	1.918	0.000
y	1.918	5.469	0.000
z	0.000	0.000	3.918

<r²>	127.768
(<r²>)^1/2	11.303