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	hartrees
Energy at 0K	-634.874886
Energy at 298.15K	-634.875648
HF Energy	-634.874886
Nuclear repulsion energy	102.795602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	916	916	52.15
2	A'	745	745	19.43
3	A'	393	393	1.09

Atom	x (Å)	y (Å)
Cl1	-0.740	-0.684
O2	0.000	0.804
F3	1.398	0.578

	Cl1	O2	F3
Cl1		1.6622	2.4836
O2	1.6622		1.4164
F3	2.4836	1.4164

Number	Element	Mulliken
1	Cl	0.145
2	O	-0.048
3	F	-0.097

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

using model chemistry: HSEh1PBE/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
	-0.770	-0.721	0.000	1.055
CHELPG
AIM
ESP

	x	y	z
x	3.667	0.980	0.000
y	0.980	3.186	0.000
z	0.000	0.000	1.764

<r²>	56.767
(<r²>)^1/2	7.534