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	hartrees
Energy at 0K	-3072.990977
Energy at 298.15K
HF Energy	-3072.990977
Nuclear repulsion energy	228.403302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1007	822	33.83
2	A'	788	644	9.26
3	A'	288	236	0.90

Atom	x (Å)	y (Å)
O1	0.000	1.008
Br2	-0.844	-0.624
Cl3	1.738	0.810

	O1	Br2	Cl3
O1		1.8375	1.7491
Br2	1.8375		2.9531
Cl3	1.7491	2.9531

Number	Element	Mulliken
1	O	-0.111
2	Br	0.157
3	Cl	-0.046

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

using model chemistry: HF/STO-3G

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
	-0.988	-0.646	0.000	1.180
CHELPG
AIM
ESP

	x	y	z
x	4.132	1.763	0.000
y	1.763	2.135	0.000
z	0.000	0.000	0.171

<r²>	129.748
(<r²>)^1/2	11.391