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	hartrees
Energy at 0K	-633.234583
Energy at 298.15K	-633.235369
HF Energy	-633.234583
Nuclear repulsion energy	102.677376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	845	845	36.50
2	A'	691	691	88.74
3	A'	373	373	1.67

Atom	x (Å)	y (Å)
Cl1	-0.753	-0.667
O2	0.000	0.795
F3	1.421	0.553

	Cl1	O2	F3
Cl1		1.6441	2.4927
O2	1.6441		1.4419
F3	2.4927	1.4419

Number	Element	Mulliken
1	Cl	0.325
2	O	-0.177
3	F	-0.149

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

using model chemistry: LSDA/aug-cc-pV(T+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
	-0.961	-0.781	0.000	1.238
CHELPG
AIM
ESP

	x	y	z
x	4.793	1.016	0.000
y	1.016	4.088	0.000
z	0.000	0.000	2.967

<r²>	57.157
(<r²>)^1/2	7.560