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	hartrees
Energy at 0K	-634.726979
Energy at 298.15K	-634.727593
HF Energy	-634.726979
Nuclear repulsion energy	99.379726

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	795	786	41.42
2	A'	625	618	99.78
3	A'	345	341	0.71

Atom	x (Å)	y (Å)
Cl1	-0.773	-0.699
O2	0.000	0.823
F3	1.459	0.588

	Cl1	O2	F3
Cl1		1.7065	2.5760
O2	1.7065		1.4781
F3	2.5760	1.4781

Number	Element	Mulliken
1	Cl	0.190
2	O	-0.092
3	F	-0.098

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

using model chemistry: PBEPBEultrafine/6-31+G**

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
	-1.069	-0.882	0.000	1.386
CHELPG
AIM
ESP

	x	y	z
x	4.271	1.238	0.000
y	1.238	3.631	0.000
z	0.000	0.000	2.100

<r²>	60.177
(<r²>)^1/2	7.757