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	hartrees
Energy at 0K	-633.670919
Energy at 298.15K	-633.671812
HF Energy	-633.670919
Nuclear repulsion energy	105.299272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1163	1059	42.09
2	A'	873	794	0.66
3	A'	447	407	1.97

Atom	x (Å)	y (Å)
Cl1	-0.710	-0.689
O2	0.000	0.794
F3	1.342	0.597

	Cl1	O2	F3
Cl1		1.6443	2.4216
O2	1.6443		1.3561
F3	2.4216	1.3561

Number	Element	Mulliken
1	Cl	0.167
2	O	-0.055
3	F	-0.112

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

using model chemistry: HF/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
	-0.768	-0.810	0.000	1.116
CHELPG
AIM
ESP

	x	y	z
x	3.434	0.890	0.000
y	0.890	3.024	0.000
z	0.000	0.000	1.688

<r²>	54.857
(<r²>)^1/2	7.407