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	hartrees
Energy at 0K	-635.121991
Energy at 298.15K	-635.122632
HF Energy	-635.121991
Nuclear repulsion energy	100.528454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	799	799	33.93
2	A'	628	628	79.00
3	A'	359	359	0.93

Atom	x (Å)	y (Å)
Cl1	-0.767	-0.687
O2	0.000	0.808
F3	1.449	0.579

	Cl1	O2	F3
Cl1		1.6805	2.5519
O2	1.6805		1.4667
F3	2.5519	1.4667

Number	Element	Mulliken
1	Cl	0.147
2	O	-0.038
3	F	-0.108

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

using model chemistry: B97D3/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
x	4.009	1.139	0.000
y	1.139	3.349	0.000
z	0.000	0.000	1.826

<r²>	58.786
(<r²>)^1/2	7.667