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	hartrees
Energy at 0K	-633.659251
Energy at 298.15K	-633.660146
HF Energy	-633.659251
Nuclear repulsion energy	105.656228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1163	1057	41.56
2	A'	874	795	0.96
3	A'	450	409	2.15

Atom	x (Å)	y (Å)
Cl1	-0.709	-0.686
O2	0.000	0.790
F3	1.338	0.595

	Cl1	O2	F3
Cl1		1.6372	2.4149
O2	1.6372		1.3525
F3	2.4149	1.3525

Number	Element	Mulliken
1	Cl	0.126
2	O	0.086
3	F	-0.212

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

using model chemistry: HF/6-311+G(3df,2p)

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
	-0.732	-0.741	0.000	1.042
CHELPG
AIM
ESP

	x	y	z
x	4.011	0.802	0.000
y	0.802	3.540	0.000
z	0.000	0.000	2.496

<r²>	54.710
(<r²>)^1/2	7.397