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	hartrees
Energy at 0K	-634.841162
Energy at 298.15K
HF Energy	-634.841162
Nuclear repulsion energy	100.516735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	795	795	28.67
2	A'	633	633	94.93
3	A'	354	354	1.60

Atom	x (Å)	y (Å)
Cl1	-0.771	-0.679
O2	0.000	0.808
F3	1.456	0.565

	Cl1	O2	F3
Cl1		1.6746	2.5512
O2	1.6746		1.4765
F3	2.5512	1.4765

Number	Element	Mulliken
1	Cl	0.254
2	O	-0.089
3	F	-0.165

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

using model chemistry: PBEPBEultrafine/aug-cc-pCVTZ

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
	-1.014	-0.754	0.000	1.264
CHELPG
AIM
ESP

	x	y	z
x	5.003	1.107	0.000
y	1.107	4.191	0.000
z	0.000	0.000	2.969

<r²>	59.110
(<r²>)^1/2	7.688