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	hartrees
Energy at 0K	-634.777123
Energy at 298.15K	-634.777811
HF Energy	-634.777123
Nuclear repulsion energy	111.401751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1098	1052	61.08
2	A'	673	645	96.46
3	A'	327	314	7.65

Atom	x (Å)	y (Å)
F1	-1.201	-0.710
Cl2	0.000	0.454
O3	1.352	-0.165

	F1	Cl2	O3
F1		1.6728	2.6107
Cl2	1.6728		1.4867
O3	2.6107	1.4867

Number	Element	Mulliken
1	F	-0.220
2	Cl	0.530
3	O	-0.310

All results from a given calculation for FClO (chlorosyl fluoride)

using model chemistry: HSEh1PBE/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
	-0.890	1.576	0.000	1.810
CHELPG
AIM
ESP

	x	y	z
x	4.086	0.232	0.000
y	0.232	2.564	0.000
z	0.000	0.000	1.898

<r²>	49.677
(<r²>)^1/2	7.048