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	hartrees
Energy at 0K	-635.178259
Energy at 298.15K	-635.178797
HF Energy	-635.178259
Nuclear repulsion energy	107.144763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	982	977	56.49
2	A'	541	538	96.01
3	A'	279	278	6.39

Atom	x (Å)	y (Å)
F1	-1.243	-0.786
Cl2	0.000	0.473
O3	1.398	-0.120

	F1	Cl2	O3
F1		1.7692	2.7236
Cl2	1.7692		1.5186
O3	2.7236	1.5186

Number	Element	Mulliken
1	F	-0.298
2	Cl	0.577
3	O	-0.279

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

using model chemistry: BLYP/6-311+G(3df,2p)

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
	-0.404	1.831	0.000	1.875
CHELPG
AIM
ESP

	x	y	z
x	5.313	0.415	0.000
y	0.415	3.378	0.000
z	0.000	0.000	2.588

<r²>	53.554
(<r²>)^1/2	7.318