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	hartrees
Energy at 0K	-54.818077
Energy at 298.15K	-54.818452
HF Energy	-54.818077
Nuclear repulsion energy	34.100631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	791	766	17.39
2	A'	519	502	54.40
3	A'	212	206	8.52

Atom	x (Å)	y (Å)
F1	-1.372	-0.802
Cl2	0.000	0.521
O3	1.543	-0.205

	F1	Cl2	O3
F1		1.9062	2.9757
Cl2	1.9062		1.7059
O3	2.9757	1.7059

Number	Element	Mulliken
1	F	-0.301
2	Cl	0.633
3	O	-0.332

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

using model chemistry: B3LYP/CEP-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
	-0.216	2.427	0.000	2.437
CHELPG
AIM
ESP

	x	y	z
x	5.861	0.572	0.000
y	0.572	2.325	0.000
z	0.000	0.000	0.399

<r²>	48.501
(<r²>)^1/2	6.964