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	hartrees
Energy at 0K	-635.024509
Energy at 298.15K	-635.025249
HF Energy	-635.024509
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	909	865	42.18
2	A'	721	686	18.27
3	A'	386	368	0.33

Atom	x (Å)	y (Å)
Cl1	-0.739	-0.712
O2	0.000	0.825
F3	1.395	0.611

	Cl1	O2	F3
Cl1		1.7055	2.5111
O2	1.7055		1.4117
F3	2.5111	1.4117

Number	Element	Mulliken
1	Cl	0.187
2	O	-0.088
3	F	-0.099

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

using model chemistry: wB97X-D/cc-pVDZ

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
	-0.730	-0.799	0.000	1.082
CHELPG
AIM
ESP

	x	y	z
x	3.095	1.055	0.000
y	1.055	2.799	0.000
z	0.000	0.000	1.105

<r²>	57.829
(<r²>)^1/2	7.605