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	hartrees
Energy at 0K	-635.143511
Energy at 298.15K	-635.144355
HF Energy	-635.143511
Nuclear repulsion energy	102.861743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	915	915	54.66
2	A'	750	750	20.43
3	A'	393	393	1.32

Atom	x (Å)	y (Å)
Cl1	-0.741	-0.683
O2	0.000	0.803
F3	1.399	0.576

	Cl1	O2	F3
Cl1		1.6597	2.4822
O2	1.6597		1.4173
F3	2.4822	1.4173

Number	Element	Mulliken
1	Cl	0.289
2	O	-0.136
3	F	-0.153

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

using model chemistry: mPW1PW91/aug-cc-pV(T+d)Z

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
	-0.800	-0.682	0.000	1.051
CHELPG
AIM
ESP

	x	y	z
x	4.515	0.908	0.000
y	0.908	3.928	0.000
z	0.000	0.000	2.825

<r²>	56.837
(<r²>)^1/2	7.539