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	hartrees
Energy at 0K	-634.832589
Energy at 298.15K	-634.833316
HF Energy	-634.832589
Nuclear repulsion energy	101.539183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	899	864	51.32
2	A'	698	670	24.70
3	A'	383	368	0.37

Atom	x (Å)	y (Å)
Cl1	-0.739	-0.711
O2	0.000	0.820
F3	1.396	0.614

	Cl1	O2	F3
Cl1		1.6999	2.5136
O2	1.6999		1.4115
F3	2.5136	1.4115

Number	Element	Mulliken
1	Cl	0.217
2	O	-0.108
3	F	-0.108

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

using model chemistry: HSEh1PBE/6-311G**

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
	-0.747	-0.823	0.000	1.112
CHELPG
AIM
ESP

	x	y	z
x	3.125	1.126	0.000
y	1.126	2.862	0.000
z	0.000	0.000	1.070

<r²>	58.105
(<r²>)^1/2	7.623