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	hartrees
Energy at 0K	-633.657673
Energy at 298.15K	-633.658492
HF Energy	-633.657673
Nuclear repulsion energy	115.221636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1090	992	92.11
2	A'	817	744	174.06
3	A'	394	359	14.31

Atom	x (Å)	y (Å)
F1	-1.153	-0.654
Cl2	0.000	0.452
O3	1.297	-0.224

	F1	Cl2	O3
F1		1.5970	2.4871
Cl2	1.5970		1.4626
O3	2.4871	1.4626

Number	Element	Mulliken
1	F	-0.276
2	Cl	0.778
3	O	-0.501

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

using model chemistry: HF/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
	-1.416	2.059	0.000	2.499
CHELPG
AIM
ESP

	x	y	z
x	3.736	0.120	0.000
y	0.120	2.347	0.000
z	0.000	0.000	1.598

<r²>	47.351
(<r²>)^1/2	6.881