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	hartrees
Energy at 0K	-3107.000222
Energy at 298.15K
HF Energy	-3107.000222
Nuclear repulsion energy	224.980107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	650	624	15.97
2	A'	567	545	2.77
3	A'	237	227	0.17

Atom	x (Å)	y (Å)
O1	0.000	1.013
Br2	-0.838	-0.672
Cl3	1.725	0.907

	O1	Br2	Cl3
O1		1.8814	1.7287
Br2	1.8814		3.0104
Cl3	1.7287	3.0104

Number	Element	Mulliken
1	O	-0.426
2	Br	0.213
3	Cl	0.213

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

using model chemistry: B3LYP/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
	0.098	-0.996	0.000	1.001
CHELPG
AIM
ESP

	x	y	z
x	6.721	2.058	0.000
y	2.058	4.797	0.000
z	0.000	0.000	2.786

<r²>	134.664
(<r²>)^1/2	11.604