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	hartrees
Energy at 0K	-634.932416
Energy at 298.15K	-634.933046
HF Energy	-634.932416
Nuclear repulsion energy	108.850506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1050	1005	51.76
2	A'	643	616	89.16
3	A'	302	289	10.97

Atom	x (Å)	y (Å)
F1	-1.241	-0.729
Cl2	0.000	0.452
O3	1.396	-0.140

	F1	Cl2	O3
F1		1.7127	2.7019
Cl2	1.7127		1.5159
O3	2.7019	1.5159

Number	Element	Mulliken
1	F	-0.329
2	Cl	0.813
3	O	-0.484

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

using model chemistry: B3PW91/6-31G*

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
	-0.901	1.850	0.000	2.058
CHELPG
AIM
ESP

	x	y	z
x	4.162	0.311	0.000
y	0.311	2.175	0.000
z	0.000	0.000	1.411

<r²>	51.849
(<r²>)^1/2	7.201