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	hartrees
Energy at 0K	-54.824214
Energy at 298.15K	-54.824605
HF Energy	-54.824214
Nuclear repulsion energy	34.183073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	793	773	18.64
2	A'	520	507	58.05
3	A'	214	209	8.85

Atom	x (Å)	y (Å)
F1	-1.370	-0.801
Cl2	0.000	0.518
O3	1.541	-0.200

	F1	Cl2	O3
F1		1.9017	2.9723
Cl2	1.9017		1.7005
O3	2.9723	1.7005

Number	Element	Mulliken
1	F	-0.325
2	Cl	0.701
3	O	-0.376

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

using model chemistry: B3LYP/CEP-121G

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
	-0.240	2.456	0.000	2.468
CHELPG
AIM
ESP

	x	y	z
x	5.921	0.570	0.000
y	0.570	2.484	0.000
z	0.000	0.000	0.941

<r²>	48.375
(<r²>)^1/2	6.955