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	hartrees
Energy at 0K	-634.813401
Energy at 298.15K	-634.814039
HF Energy	-634.813401
Nuclear repulsion energy	108.517944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1047	1008	62.32
2	A'	632	608	121.38
3	A'	304	293	8.59

Atom	x (Å)	y (Å)
F1	-1.228	-0.742
Cl2	0.000	0.470
O3	1.381	-0.165

	F1	Cl2	O3
F1		1.7253	2.6721
Cl2	1.7253		1.5205
O3	2.6721	1.5205

Number	Element	Mulliken
1	F	-0.404
2	Cl	1.054
3	O	-0.649

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

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
	-0.647	1.922	0.000	2.028
CHELPG
AIM
ESP

	x	y	z
x	5.122	0.335	0.000
y	0.335	3.194	0.000
z	0.000	0.000	2.433

<r²>	52.195
(<r²>)^1/2	7.225