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	hartrees
Energy at 0K	-634.772434
Energy at 298.15K	-634.773172
HF Energy	-634.772434
Nuclear repulsion energy	101.732000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	907	866	59.86
2	A'	730	697	27.83
3	A'	384	366	0.89

Atom	x (Å)	y (Å)
Cl1	-0.745	-0.696
O2	0.000	0.817
F3	1.407	0.587

	Cl1	O2	F3
Cl1		1.6864	2.5048
O2	1.6864		1.4253
F3	2.5048	1.4253

Number	Element	Mulliken
1	Cl	0.181
2	O	-0.088
3	F	-0.093

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

using model chemistry: HSEh1PBE/6-31+G**

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
	-0.887	-0.818	0.000	1.207
CHELPG
AIM
ESP

	x	y	z
x	3.826	1.037	0.000
y	1.037	3.378	0.000
z	0.000	0.000	1.971

<r²>	57.844
(<r²>)^1/2	7.606