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	hartrees
Energy at 0K	-634.876978
Energy at 298.15K	-634.877656
HF Energy	-634.876978
Nuclear repulsion energy	110.955672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1090	1048	67.74
2	A'	654	629	121.80
3	A'	324	311	8.92

Atom	x (Å)	y (Å)
F1	-1.201	-0.721
Cl2	0.000	0.460
O3	1.352	-0.167

	F1	Cl2	O3
F1		1.6844	2.6125
Cl2	1.6844		1.4899
O3	2.6125	1.4899

Number	Element	Mulliken
1	F	-0.252
2	Cl	0.632
3	O	-0.379

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

using model chemistry: HSEh1PBE/cc-pVTZ

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
	-0.808	1.835	0.000	2.005
CHELPG
AIM
ESP

	x	y	z
x	4.239	0.248	0.000
y	0.248	2.519	0.000
z	0.000	0.000	1.667

<r²>	50.223
(<r²>)^1/2	7.087