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	hartrees
Energy at 0K	-635.033715
Energy at 298.15K	-635.034251
HF Energy	-635.033715
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	977	977	38.20
2	A'	547	547	65.07
3	A'	269	269	8.47

Atom	x (Å)	y (Å)
F1	-1.274	-0.791
Cl2	0.000	0.466
O3	1.434	-0.101

	F1	Cl2	O3
F1		1.7905	2.7949
Cl2	1.7905		1.5420
O3	2.7949	1.5420

Number	Element	Mulliken
1	F	-0.290
2	Cl	0.628
3	O	-0.338

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

using model chemistry: B97D3/cc-pCVDZ

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
	-0.462	1.942	0.000	1.996
CHELPG
AIM
ESP

	x	y	z
x	4.301	0.458	0.000
y	0.458	2.159	0.000
z	0.000	0.000	1.129

<r²>	54.482
(<r²>)^1/2	7.381