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	hartrees
Energy at 0K	-633.124165
Energy at 298.15K	-633.124760
HF Energy	-633.124165
Nuclear repulsion energy	108.204909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1043	1027	56.85
2	A'	608	599	111.11
3	A'	286	282	10.10

Atom	x (Å)	y (Å)
F1	-1.239	-0.750
Cl2	0.000	0.462
O3	1.394	-0.139

	F1	Cl2	O3
F1		1.7335	2.7029
Cl2	1.7335		1.5182
O3	2.7029	1.5182

Number	Element	Mulliken
1	F	-0.308
2	Cl	0.720
3	O	-0.412

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

using model chemistry: SVWN/6-31+G**

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
	-0.643	2.066	0.000	2.164
CHELPG
AIM
ESP

	x	y	z
x	4.932	0.362	0.000
y	0.362	2.742	0.000
z	0.000	0.000	2.011

<r²>	52.836
(<r²>)^1/2	7.269