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	hartrees
Energy at 0K	-633.267249
Energy at 298.15K
HF Energy	-633.267249
Nuclear repulsion energy	111.327257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1092	1092	69.44
2	A'	644	644	114.81
3	A'	314	314	6.21

Atom	x (Å)	y (Å)
F1	-1.196	-0.722
Cl2	0.000	0.459
O3	1.346	-0.164

	F1	Cl2	O3
F1		1.6812	2.6027
Cl2	1.6812		1.4830
O3	2.6027	1.4830

Number	Element	Mulliken
1	F	-0.347
2	Cl	0.904
3	O	-0.557

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

using model chemistry: SVWN/aug-cc-pCVTZ

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
	-0.698	1.634	0.000	1.777
CHELPG
AIM
ESP

	x	y	z
x	4.940	0.212	0.000
y	0.212	3.335	0.000
z	0.000	0.000	2.708

<r²>	50.236
(<r²>)^1/2	7.088