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	hartrees
Energy at 0K	-634.947267
Energy at 298.15K	-634.947976
HF Energy	-634.712698
Nuclear repulsion energy	101.338429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	842	809	41.02
2	A'	713	685	24.69
3	A'	373	359	1.37

Atom	x (Å)	y (Å)
Cl1	-0.754	-0.686
O2	0.000	0.818
F3	1.424	0.569

	Cl1	O2	F3
Cl1		1.6830	2.5132
O2	1.6830		1.4454
F3	2.5132	1.4454

Number	Element	Mulliken
1	Cl	0.286
2	O	-0.136
3	F	-0.149

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

using model chemistry: B2PLYP/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
	-0.884	-0.729	0.000	1.146
CHELPG
AIM
ESP

	x	y	z
x	4.641	0.941	0.000
y	0.941	4.020	0.000
z	0.000	0.000	2.848

<r²>	58.162
(<r²>)^1/2	7.626