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	hartrees
Energy at 0K	-631.868262
Energy at 298.15K	-631.868857
HF Energy	-631.868262
Nuclear repulsion energy	94.438949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	925	909	46.56
2	A'	610	600	33.05
3	A'	302	297	0.82

Atom	x (Å)	y (Å)
Cl1	-0.780	-0.785
O2	0.000	0.901
F3	1.474	0.681

	Cl1	O2	F3
Cl1		1.8572	2.6884
O2	1.8572		1.4899
F3	2.6884	1.4899

Number	Element	Mulliken
1	Cl	0.139
2	O	-0.079
3	F	-0.060

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

using model chemistry: B97D3/3-21G

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
	-0.370	-0.379	0.000	0.529
CHELPG
AIM
ESP

	x	y	z
x	3.111	1.538	0.000
y	1.538	2.996	0.000
z	0.000	0.000	0.513

<r²>	64.554
(<r²>)^1/2	8.035