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	hartrees
Energy at 0K	-627.289345
Energy at 298.15K	-627.290001
HF Energy	-627.289345
Nuclear repulsion energy	95.783903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1263	1154	39.65
2	A'	701	641	27.01
3	A'	348	318	4.06

Atom	x (Å)	y (Å)
Cl1	-0.738	-0.833
O2	0.000	0.898
F3	1.394	0.775

	Cl1	O2	F3
Cl1		1.8817	2.6706
O2	1.8817		1.3997
F3	2.6706	1.3997

Number	Element	Mulliken
1	Cl	-0.101
2	O	0.040
3	F	0.061

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

using model chemistry: PBEPBE/STO-3G

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
	1.041	0.932	0.000	1.397
CHELPG
AIM
ESP

	x	y	z
x	1.882	1.271	0.000
y	1.271	2.085	0.000
z	0.000	0.000	0.062

<r²>	62.724
(<r²>)^1/2	7.920