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	hartrees
Energy at 0K	-635.068752
Energy at 298.15K	-635.069354
HF Energy	-635.068752
Nuclear repulsion energy	95.130087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	859	826	52.10
2	A'	630	605	18.66
3	A'	317	305	0.07

Atom	x (Å)	y (Å)
Cl1	-0.778	-0.776
O2	0.000	0.885
F3	1.470	0.679

	Cl1	O2	F3
Cl1		1.8349	2.6779
O2	1.8349		1.4840
F3	2.6779	1.4840

Number	Element	Mulliken
1	Cl	0.214
2	O	-0.102
3	F	-0.112

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

using model chemistry: B3LYP/SDD

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
	-0.970	-0.944	0.000	1.354
CHELPG
AIM
ESP

	x	y	z
x	3.387	1.558	0.000
y	1.558	3.267	0.000
z	0.000	0.000	0.518

<r²>	64.326
(<r²>)^1/2	8.020