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	hartrees
Energy at 0K	-634.814725
Energy at 298.15K	-634.815336
HF Energy	-634.814725
Nuclear repulsion energy	99.056079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	789	780	41.46
2	A'	619	612	91.68
3	A'	343	339	0.47

Atom	x (Å)	y (Å)
Cl1	-0.771	-0.710
O2	0.000	0.823
F3	1.457	0.610

	Cl1	O2	F3
Cl1		1.7166	2.5902
O2	1.7166		1.4726
F3	2.5902	1.4726

Number	Element	Mulliken
1	Cl	0.151
2	O	-0.045
3	F	-0.107

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

using model chemistry: PBEPBE/TZVP

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
	-1.005	-0.917	0.000	1.360
CHELPG
AIM
ESP

	x	y	z
x	3.786	1.332	0.000
y	1.332	3.299	0.000
z	0.000	0.000	1.363

<r²>	60.507
(<r²>)^1/2	7.779