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	hartrees
Energy at 0K	-634.663343
Energy at 298.15K	-634.663894
HF Energy	-634.663343
Nuclear repulsion energy	93.968523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	803	792	52.80
2	A'	610	601	45.08
3	A'	297	293	0.11

Atom	x (Å)	y (Å)
Cl1	-0.792	-0.781
O2	0.000	0.889
F3	1.496	0.685

	Cl1	O2	F3
Cl1		1.8477	2.7177
O2	1.8477		1.5103
F3	2.7177	1.5103

Number	Element	Mulliken
1	Cl	0.214
2	O	-0.119
3	F	-0.095

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

using model chemistry: PBEPBE/6-31G

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
	-0.682	-0.703	0.000	0.980
CHELPG
AIM
ESP

	x	y	z
x	3.538	1.612	0.000
y	1.612	3.258	0.000
z	0.000	0.000	0.695

<r²>	65.520
(<r²>)^1/2	8.094