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	hartrees
Energy at 0K	-634.958602
Energy at 298.15K	-634.959291
HF Energy	-634.958602
Nuclear repulsion energy	110.243149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1073	1022	75.55
2	A'	681	648	148.77
3	A'	329	314	13.97

Atom	x (Å)	y (Å)
F1	-1.211	-0.717
Cl2	0.000	0.462
O3	1.362	-0.176

	F1	Cl2	O3
F1		1.6900	2.6289
Cl2	1.6900		1.5042
O3	2.6289	1.5042

Number	Element	Mulliken
1	F	-0.326
2	Cl	0.804
3	O	-0.478

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

using model chemistry: M06-2X/6-31+G**

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
	-0.955	2.230	0.000	2.425
CHELPG
AIM
ESP

	x	y	z
x	4.715	0.288	0.000
y	0.288	2.618	0.000
z	0.000	0.000	1.897

<r²>	51.094
(<r²>)^1/2	7.148