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	hartrees
Energy at 0K	-3104.087760
Energy at 298.15K	-3104.091315
HF Energy	-3104.087760
Nuclear repulsion energy	232.469683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	874	786	5.38
2	A'	659	592	5.70
3	A'	274	246	0.22

Atom	x (Å)	y (Å)
O1	0.000	0.970
Br2	-0.809	-0.656
Cl3	1.666	0.895

	O1	Br2	Cl3
O1		1.8169	1.6681
Br2	1.8169		2.9214
Cl3	1.6681	2.9214

Number	Element	Mulliken
1	O	-0.574
2	Br	0.296
3	Cl	0.278

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

using model chemistry: HF/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	-1.228	0.000	1.238
CHELPG
AIM
ESP

	x	y	z
x	6.086	1.803	0.000
y	1.803	4.500	0.000
z	0.000	0.000	2.719

<r²>	128.038
(<r²>)^1/2	11.315