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	hartrees
Energy at 0K	-633.674880
Energy at 298.15K	-633.675774
HF Energy	-633.674880
Nuclear repulsion energy	105.313734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1162	1058	42.76
2	A'	874	796	0.69
3	A'	447	407	2.09

Atom	x (Å)	y (Å)
Cl1	-0.710	-0.689
O2	0.000	0.794
F3	1.342	0.596

	Cl1	O2	F3
Cl1		1.6439	2.4210
O2	1.6439		1.3563
F3	2.4210	1.3563

Number	Element	Mulliken
1	Cl	0.300
2	O	-0.133
3	F	-0.167

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

using model chemistry: HF/aug-cc-pVTZ

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
	-0.744	-0.740	0.000	1.049
CHELPG
AIM
ESP

	x	y	z
x	4.143	0.803	0.000
y	0.803	3.656	0.000
z	0.000	0.000	2.605

<r²>	54.932
(<r²>)^1/2	7.412