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	hartrees
Energy at 0K	-635.040706
Energy at 298.15K	-635.041315
HF Energy	-635.040706
Nuclear repulsion energy	98.866870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	794	794	39.83
2	A'	592	592	65.65
3	A'	345	345	0.02

Atom	x (Å)	y (Å)
Cl1	-0.765	-0.723
O2	0.000	0.833
F3	1.445	0.624

	Cl1	O2	F3
Cl1		1.7341	2.5888
O2	1.7341		1.4604
F3	2.5888	1.4604

Number	Element	Mulliken
1	Cl	0.182
2	O	-0.082
3	F	-0.101

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

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
	-0.814	-0.788	0.000	1.133
CHELPG
AIM
ESP

	x	y	z
x	3.416	1.246	0.000
y	1.246	2.977	0.000
z	0.000	0.000	1.120

<r²>	60.220
(<r²>)^1/2	7.760