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	hartrees
Energy at 0K	-635.169494
Energy at 298.15K	-635.170090
HF Energy	-635.169494
Nuclear repulsion energy	98.831052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	775	772	34.88
2	A'	606	604	76.91
3	A'	339	338	0.64

Atom	x (Å)	y (Å)
Cl1	-0.778	-0.701
O2	0.000	0.826
F3	1.470	0.590

	Cl1	O2	F3
Cl1		1.7134	2.5923
O2	1.7134		1.4886
F3	2.5923	1.4886

Number	Element	Mulliken
1	Cl	0.170
2	O	-0.059
3	F	-0.112

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

using model chemistry: BLYP/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
	-0.987	-0.812	0.000	1.279
CHELPG
AIM
ESP

	x	y	z
x	4.104	1.223	0.000
y	1.223	3.434	0.000
z	0.000	0.000	1.758

<r²>	60.490
(<r²>)^1/2	7.778