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	hartrees
Energy at 0K	-634.771157
Energy at 298.15K	-634.771784
HF Energy	-634.771157
Nuclear repulsion energy	99.455035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	794	789	34.52
2	A'	632	628	92.79
3	A'	347	345	0.83

Atom	x (Å)	y (Å)
Cl1	-0.768	-0.704
O2	0.000	0.826
F3	1.451	0.596

	Cl1	O2	F3
Cl1		1.7118	2.5722
O2	1.7118		1.4690
F3	2.5722	1.4690

Number	Element	Mulliken
1	Cl	0.363
2	O	-0.164
3	F	-0.199

All results from a given calculation for ClOF (Chlorine hypofluorite)

using model chemistry: PBEPBE/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
	-0.930	-0.733	0.000	1.184
CHELPG
AIM
ESP

	x	y	z
x	4.826	1.167	0.000
y	1.167	4.155	0.000
z	0.000	0.000	2.796

<r²>	60.076
(<r²>)^1/2	7.751