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	hartrees
Energy at 0K	-635.038335
Energy at 298.15K	-635.038849
HF Energy	-635.038335
Nuclear repulsion energy	104.992590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	939	931	35.35
2	A'	560	555	61.27
3	A'	265	263	8.28

Atom	x (Å)	y (Å)
F1	-1.292	-0.773
Cl2	0.000	0.459
O3	1.454	-0.105

	F1	Cl2	O3
F1		1.7855	2.8261
Cl2	1.7855		1.5589
O3	2.8261	1.5589

Number	Element	Mulliken
1	F	-0.295
2	Cl	0.718
3	O	-0.423

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

using model chemistry: BLYP/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
	-0.654	1.744	0.000	1.862
CHELPG
AIM
ESP

	x	y	z
x	4.492	0.429	0.000
y	0.429	2.281	0.000
z	0.000	0.000	1.410

<r²>	55.008
(<r²>)^1/2	7.417