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	hartrees
Energy at 0K	-635.104494
Energy at 298.15K
HF Energy	-635.104494
Nuclear repulsion energy	100.255354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	848	848	39.73
2	A'	661	661	39.55
3	A'	361	361	0.19

Atom	x (Å)	y (Å)
Cl1	-0.756	-0.707
O2	0.000	0.827
F3	1.428	0.599

	Cl1	O2	F3
Cl1		1.7100	2.5446
O2	1.7100		1.4460
F3	2.5446	1.4460

Number	Element	Mulliken
1	Cl	0.190
2	O	-0.089
3	F	-0.101

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

using model chemistry: TPSSh/cc-pV(D+d)Z

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
	-0.787	-0.782	0.000	1.110
CHELPG
AIM
ESP

	x	y	z
x	3.303	1.134	0.000
y	1.134	2.858	0.000
z	0.000	0.000	1.113

<r²>	58.839
(<r²>)^1/2	7.671